1. |
- Admassie, Shimelis, et al.
(författare)
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A renewable biopolymer cathode with multivalent metal ions for enhanced charge storage
- 2014
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Ingår i: JOURNAL OF MATERIALS CHEMISTRY A. - : Royal Society of Chemistry. - 2050-7488. ; 2:6, s. 1974-1979
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Tidskriftsartikel (refereegranskat)abstract
- A ternary composite supercapacitor electrode consisting of phosphomolybdic acid (HMA), a renewable biopolymer, lignin, and polypyrrole was synthesized by a simple one-step simultaneous electrochemical deposition and characterized by electrochemical methods. It was found that the addition of HMA increased the specific capacitance of the polypyrrole-lignin composite from 477 to 682 F g(-1) ( at a discharge current of 1 A g(-1)) and also significantly improved the charge storage capacity from 6(to 128 mA h g(-1).
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2. |
- Aguirre, Miren, et al.
(författare)
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Hybrid acrylic/CeO2 nanocomposites using hydrophilic, spherical and high aspect ratio CeO2 nanoparticles
- 2014
-
Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 2:47, s. 20280-20287
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Tidskriftsartikel (refereegranskat)abstract
- A dispersion of CeO2 nanoparticles and nanorods stabilized with nitrilotriacetic acid (NTA) and a 4,4'-azobis(4-cyanovaleric acid) (V-501) initiator has been used to initiate the emulsion polymerization of acrylic monomers, yielding stable hybrid CeO2 nanoparticle-nanorod/polyacrylate latexes for the first time. Films cast from these hybrid latexes are transparent due to the very homogenous distribution of the polymer compatibilized CeO2. Furthermore, it has been proven that the UV-Vis absorption capacity of the hybrid latexes is enhanced with the incorporation of the nanorods.
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3. |
- Bao, Qinye, et al.
(författare)
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Effects of ultraviolet soaking on surface electronic structures of solution processed ZnO nanoparticle films in polymer solar cells
- 2014
-
Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry. - 2050-7488. ; 2:41, s. 17676-17682
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Tidskriftsartikel (refereegranskat)abstract
- We systematically show the effect of UV-light soaking on surface electronic structures and chemical states of solution processed ZnO nanoparticle (ZnONP) films in UHV, dry air and UV-ozone. UV exposure in UHV induces a slight decrease in work function and surface-desorption of chemisorbed oxygen, whereas UV exposure in the presence of oxygen causes an increase in work function due to oxygen atom vacancy filling in the ZnO matrix. We demonstrate that UV-light soaking in combination with vacuum or oxygen can tune the work function of the ZnONP films over a range exceeding 1 eV. Based on photovoltaic performance and diode measurements, we conclude that the oxygen atom vacancy filling occurs mainly at the surface of the ZnONP films and that the films consequently retain their n-type behavior despite a significant increase in the measured work function.
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4. |
- Bergqvist, Jonas, et al.
(författare)
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Sub-glass transition annealing enhances polymer solar cell performance
- 2014
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Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry. - 2050-7488. ; 2:17, s. 6146-6152
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Tidskriftsartikel (refereegranskat)abstract
- Thermal annealing of non-crystalline polymer: fullerene blends typically results in a drastic decrease in solar cell performance. In particular aggressive annealing above the glass transition temperature results in a detrimental coarsening of the blend nanostructure. We demonstrate that mild annealing below the glass transition temperature is a viable avenue to control the nanostructure of a non-crystalline thiophene-quinoxaline copolymer: fullerene blend. Direct imaging methods indicate that coarsening of the blend nanostructure can be avoided. However, a combination of absorption and luminescence spectroscopy reveals that local changes in the polymer conformation as well as limited fullerene aggregation are permitted to occur. As a result, we are able to optimise the solar cell performance evenly across different positions of the coated area, which is a necessary criterion for large-scale, high throughput production.
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5. |
- Bergqvist, J., et al.
(författare)
-
Sub-glass transition annealing enhances polymer solar cell performance
- 2014
-
Ingår i: Journal of Materials Chemistry A. - 2050-7488 .- 2050-7496. ; 2:17, s. 6146-6152
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Tidskriftsartikel (refereegranskat)abstract
- Thermal annealing of non-crystalline polymer:fullerene blends typically results in a drastic decrease in solar cell performance. In particular aggressive annealing above the glass transition temperature results in a detrimental coarsening of the blend nanostructure. We demonstrate that mild annealing below the glass transition temperature is a viable avenue to control the nanostructure of a non-crystalline thiophene–quinoxaline copolymer:fullerene blend. Direct imaging methods indicate that coarsening of the blend nanostructure can be avoided. However, a combination of absorption and luminescence spectroscopy reveals that local changes in the polymer conformation as well as limited fullerene aggregation are permitted to occur. As a result, we are able to optimise the solar cell performance evenly across different positions of the coated area, which is a necessary criterion for large-scale, high throughput production.
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6. |
- Bielecki, Johan, 1982, et al.
(författare)
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Short-range structure of the brownmillerite-type oxide Ba2In2O5 and its hydrated proton-conducting form BaInO3H
- 2014
-
Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 2:40, s. 16915-16924
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Tidskriftsartikel (refereegranskat)abstract
- The vibrational spectra and short-range structure of the brownmillerite-type oxide Ba2In2O6 and its hydrated form BaInO3H, are investigated by means of Raman, infrared, and inelastic neutron scattering spectroscopies together with density functional theory calculations. For Ba2In2O6, which may be described as an oxygen deficient perovskite structure with alternating layers of InO6 octahedra and InO4 tetrahedra, the results affirm a short-range structure of Icmm symmetry, which is characterized by random orientation of successive layers of InO4 tetrahedra. For the hydrated, proton conducting, form, BaInO3H, the results suggest that the short-range structure is more complicated than the P4/mbm symmetry that has been proposed previously on the basis of neutron diffraction, but rather suggest a proton configuration close to the lowest energy structure predicted by Martinez et al. [J.-R. Martinez, C. E. Moen, S. Stoelen, N. L. Allan, J. Solid State Chem., 180, 3388, (2007)]. An intense Raman active vibration at 150 cm(-1) is identified as a unique fingerprint of this proton configuration.
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7. |
- Cheng, Ming, et al.
(författare)
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Molecular engineering of small molecules donor materials based on phenoxazine core unit for solution-processed organic solar cells
- 2014
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Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488. ; 2:27, s. 10465-10469
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Tidskriftsartikel (refereegranskat)abstract
- A D-pi-A type small molecule POZ4 and a A-pi-D-pi-A type small molecule POZ6, in which phenoxazine was used as the central building block and dicyanovinyl was employed as the electron-withdrawing end-group, have been designed and synthesized. Compared with D-pi-A type donor material POZ4, the donor material POZ6 with A-pi-D-pi-A configuration shows much wider response to solar light. An efficiency of 5.60% was obtained for the POZ6: PC71BM based solar cells, and the device fabricated with POZ6:PC71BM (1 : 1) showed a much better balanced hole and electron mobility of 2.24 x 10(-4) cm(2) V-1 s(-1) and 3.17 x 10(-4) cm(2) V-1 s(-1), respectively.
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8. |
- Diaz de Zerio Mendaza, Amaia, 1986, et al.
(författare)
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Neat C60:C70 buckminsterfullerene mixtures enhance polymer solar cell performance
- 2014
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Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 2:35, s. 14354-14359
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Tidskriftsartikel (refereegranskat)abstract
- We demonstrate that bulk-heterojunction blends based on neat, unsubstituted buckminsterfullerenes (C60, C70) and a thiophene–quinoxaline copolymer (TQ1) can be readily processed from solution. Atomic force and transmission electron microscopy as well as photoluminescence spectroscopy reveal that thin films with a fine-grained nanostructure can be spin-coated, which display a good photovoltaic performance. Replacement of substituted fullerenes with C60 or C70 only results in a small drop in open-circuit voltage from 0.9 V to about 0.8 V. Thus, a power conversion efficiency of up to 2.9% can be maintained if C70 is used as the acceptor material. Further improvement in photovoltaic performance to 3.6% is achieved, accompanied by a high internal quantum efficiency of 75%, if a 1 : 1 C60:C70 mixture is used as the acceptor material, due to its improved solubility in ortho-dichlorobenzene.
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9. |
- Dowland, Simon A., et al.
(författare)
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Photoinduced electron and hole transfer in CdS:P3HT nanocomposite films : effect of nanomorphology on charge separation yield and solar cell performance
- 2013
-
Ingår i: Journal of Materials Chemistry A. - : ROYAL SOC CHEMISTRY. - 2050-7488 .- 2050-7496. ; 1:44, s. 13896-13901
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Tidskriftsartikel (refereegranskat)abstract
- The influence of morphology on the photophysical properties of blend films containing in situ grown CdS and poly(3-hexylthiophene-2,5-diyl) (P3HT), fabricated utilising a metal xanthate single source precursor, is reported. A combination of transient absorption spectroscopy (TAS), transmission electron microscopy (TEM) and photovoltaic device measurements are employed to study the relationship between the efficiency of charge separation, photocurrent generation and thin film morphology. We identify that a significant proportion of the extractable charge originates from the direct excitation of CdS followed by hole-transfer to the P3HT polymer. The yield of this hole-transfer step from the inorganic CdS to the organic polymer is largely unaffected by the film’s nanomorphology, while the dissociation of P3HT excitons into free charges at the CdS:P3HT interface is found to be strongly dependent on this parameter with high yields of charge transfer only being achieved at high CdS loadings. The present study elucidates design rules for the optimization of hybrid inorganic-organic solar energy conversion devices.
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10. |
- Eklöf, Daniel, et al.
(författare)
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Transport properties of the ii v semiconductor znsb
- 2013
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Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488. ; 1:4, s. 1407-1414
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Tidskriftsartikel (refereegranskat)abstract
- The intermetallic compound ZnSb is an electron poor (II-V) semiconductor with interesting thermoelectric properties. Electrical resistivity, thermopower and thermal conductivity were measured on single crystalline and various polycrystalline specimens. The work establishes the presence of impurity band conduction as an intrinsic phenomenon of ZnSb. The impurity band governs electrical transport properties at temperatures up to 300-400 K after which ZnSb becomes an intrinsic conductor. Furthermore this work establishes an inherently low lattice thermal conductivity of ZnSb, which is comparable to the state-of-the- art thermoelectric material PbTe. It is argued that the impurity band relates to the presence of Zn defects and the low thermal conductivity to the electron-poor bonding properties of ZnSb.
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11. |
- Esbjörnsson Elgh, Björn Neo, 1980, et al.
(författare)
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Controlling anatase and rutile polymorph selectivity during low-temperature synthesis of mesoporous TiO2 films
- 2014
-
Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 2:9, s. 3024-3030
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Tidskriftsartikel (refereegranskat)abstract
- The polymorph selectivity of a microemulsion-based synthesis solution used for evaporation-induced self-assembly preparation of ordered mesoporous titania films was studied and unexpectedly found to differ from the polymorph selectivity obtained in the films prepared from the reaction solution. While titania nanocrystallites of the rutile phase form in the reaction solution prior to film formation, crystal growth was found to continue after evaporation-induced self-assembly of titania films, resulting in a shift in polymorph selectivity to the anatase phase. Evaporation of solvent and hydrochloric acid during film formation and subsequent aging increases the concentration of the titania precursor and possibly decreases the acidity of the prepared films, both effects that increase the rate of titania condensation, thus promoting the kinetically favoured formation of anatase. The rutile content of the films can be increased by employing an extended reaction time of the synthesis solution prior to the film formation showing that preformed rutile nanocrystallites are retained and incorporated into the titania film during its formation. The crystal growth in the films could be influenced by introducing hydrochloric acid vapour during aging of the formed films, resulting in a decreased formation of anatase nanocrystallites. Such control of the polymorph selectivity in mesoporous titania films is a major advancement towards the synthesis of ordered mesoporous titania films with photocatalytically optimal anatase/rutile ratios and towards the synthesis of pure rutile mesoporous titania.
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12. |
- Fan, Liangdong, et al.
(författare)
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Understanding the electrochemical mechanism of the core-shell ceria-LiZnO nanocomposite in a low temperature solid oxide fuel cell
- 2014
-
Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 2:15, s. 5399-5407
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Tidskriftsartikel (refereegranskat)abstract
- Ceria based solid solutions have been considered some of the best candidates to develop intermediate/low temperature solid oxide fuel cells (IT/LT-SOFCs, 600-800 degrees C). However, the barrier to commercialization has not been overcome even after numerous research activities due to its inherent electronic conduction in a reducing atmosphere and inadequate ionic conductivity at low temperatures. The present work reports a new type of all-oxide nanocomposite electrolyte material based on a semiconductor, Li-doped ZnO (LixZnO), and an ionic conductor, samarium doped ceria (SDC). This electrolyte exhibits superionic conductivity (>0.1 S cm(-1) over 300 degrees C), net-electron free and excellent electrolytic performances (400-630 mW cm(-2)) between 480 and 550 degrees C. Particularly, defects related to interfacial conduction and the intrinsic and extrinsic properties of ions are analysed. An internal or interfacial redox process on two-phase particles is suggested as a powerful methodology to overcome the internal short-circuit problem of ceria-based single phase materials and to develop new advanced materials for energy related applications. The combination of the above promising features makes the SDC-LiZnO nanocomposite a promising electrolyte for LTSOFCs.
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13. |
- Fondell, Mattis, et al.
(författare)
-
Optical quantum confinement in low dimensional hematite
- 2014
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Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488. ; 2:10, s. 3352-3363
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Tidskriftsartikel (refereegranskat)abstract
- Hematite is considered to be a promising material for various applications, including for example photoelectrochemical cells for solar hydrogen production. Due to limitations in the charge transport properties hematite needs to be in the form of low-dimensional particles or thin films in several of these applications. This may however affect the optical properties, introducing additional complications for efficient design of photo-active devices. In this paper the optical absorption is analyzed in detail as a function of film thickness for 35 thin films of hematite ranging between 2 and 70 nm. Hematite was deposited by atomic layer deposition on FTO-substrates using Fe(CO)(5) and O-2 as precursors. It was found that for film thicknesses below 20 nm the optical properties are severely affected as a consequence of quantum confinement. One of the more marked effects is a blue shift of up to 0.3 eV for thinner films of both the indirect and direct transitions, as well as a 0.2 eV shift of the absorption maximum. The data show a difference in quantum confinement for the indirect and the direct transitions, where the probability for the indirect transition decreases markedly and essentially disappears for the thinnest films. Raman measurements showed no peak shift or change in relative intensity for vibrations for the thinnest films indicating that the decrease in indirect transition probability could not be assigned to depression of any specific phonon but instead seems to be a consequence of isotropic phonon confinement. The onset of the indirect transition is found at 1.75 eV for the thickest films and shifted to 2.0 eV for the thinner films. Two direct transitions are found at 2.15 eV and 2.45 eV, which are blue shifted 0.3 and 0.45 eV respectively, when decreasing the film thickness from 20 to 4 nm. Low dimensional hematite, with dimensions small enough for efficient charge transport, thus has a substantially lower absorption in the visible region than expected from bulk values. This knowledge of the intrinsic optical behavior of low dimensional hematite will be of importance in the design of efficient photo-active devices.
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14. |
- Hou, Qiong, et al.
(författare)
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A triphenylamine-based four-armed molecule for solution-processed organic solar cells with high photo-voltage
- 2013
-
Ingår i: JOURNAL OF MATERIALS CHEMISTRY A. - : Royal Society of Chemistry. - 2050-7488 .- 2050-7496. ; 1:16, s. 4937-4940
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Tidskriftsartikel (refereegranskat)abstract
- A new four-armed molecule Th-4(DTPAB) with a triphenylamine-benzothiadiazole-triphenylamine unit as the core and 4-hexylthiophene as arms was synthesized. Solution-processed organic solar cells based on blends of Th-4(DTPAB) and PC71BM demonstrate a power conversion efficiency of 3.18% with a high open circuit voltage of 0.96 V.
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15. |
- Kim, Jae-Kwang, 1978, et al.
(författare)
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A layer-built rechargeable lithium ribbon-type battery for high energy density textile battery applications
- 2014
-
Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 2:6, s. 1774-1780
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Tidskriftsartikel (refereegranskat)abstract
- We designed a novel layer-built rechargeable lithium ribbon-type battery intended for textile or cloth based applications. The ribbon-type battery, 2.4 mm (or 1 mm) wide and 10 cm long, is composed of a double layer LiFePO4 cathode and an amorphous silicon nanofilm. The double layer LiFePO4 and amorphous silicon electrodes were prepared using the doctor blade method and a vertical deposition technique, respectively. The structure and morphology of the LiFePO4 and the silicon thin film were characterized by Rietveld refinement, SEM and TEM. At room temperature the ribbon-type battery exhibited an initial discharge capacity of 166.4 and 132.7 mA h g (1) at 0.5 and 1 C-rate, respectively. A reasonably good cycling performance and high coulombic efficiency under the high current density of 1 C-rate could be obtained with the Si/LiFePO4 ribbon-type battery. Also, a high volumetric capacity of 336 mA h cm (3) at 0.5 C-rate was achieved, which makes the ribbon-type battery suitable for practical use.
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16. |
- Kim, Jae-Kwang, 1978, et al.
(författare)
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gamma-Fe2O3 nanoparticles encapsulated in polypyrrole for quasi-solid-state lithium batteries
- 2014
-
Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 2:10, s. 3551-3556
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Tidskriftsartikel (refereegranskat)abstract
- Nano-sized gamma-Fe2O3 was prepared by a minor modification method in combination with high energy ball milling, and a core-shell structure was designed using polypyrrole (PPy) by chemical polymerization. The structure and morphology of core-shell gamma-Fe2O3-PPy were investigated by XRD, FT-IR, SEM, and TEM. For solid-state batteries, PPy-Fe2O3 cells were fabricated with a gel polymer electrolyte prepared by an electrospinning process. The charge and discharge gravimetric capacities of all-solid-state batteries at the first cycle are 400 and 421 mA h g(-1) and 220 and 221 mA h g(-1) for 0.1 and 1 C-rates, respectively, which correspond to 760 and 800 mA h cm(-3) and 418 and 420 mA h cm(-3) of volumetric capacity.
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17. |
- Kim, Jae-Kwang, 1978, et al.
(författare)
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Nano-fibrous polymer films for organic rechargeable batteries
- 2013
-
Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 1:7, s. 2426-2430
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Tidskriftsartikel (refereegranskat)abstract
- We propose a nano-fibrous polymer (NFP) film, fabricated by electrospinning poly(2,2,6,6-tetramethylpiperidinyloxy-4-yl methacrylate) (PTMA), as a key component in high performance organic batteries. The new strategy with a NFP film enables extraordinary rate capability and excellent cyclability, due to its special morphology. Moreover, the NFP film enhances the flexibility of the electrode at a low cost and prevents dissolution of PTMA into the electrolyte.
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18. |
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19. |
- Kumar, Sudesh, et al.
(författare)
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Reversible in situ precipitation: a flow-through approach for coating macroporous supports with metal hydroxides
- 2014
-
Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488. ; 2:4, s. 1076-1084
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Tidskriftsartikel (refereegranskat)abstract
- In this study we report on the production of metal-hydroxide-coated macroporous polymers (MHCMPs), which mainly involves a polyacrylamide backbone coated with iron-aluminium double hydroxides. The coating process is fast, occurs using relatively mild reagents at room temperature, and can be repeated multiple times, thus making it a very simple and flexible process. Electron microscopy and energy dispersive X-ray spectroscopy studies showed that metal hydroxide coating occurred throughout the polymer backbone. It was shown that the mass of metal hydroxides incorporated in the MHCMPs could be adjusted by varying the initial salt solution concentration or the number of cycles in the process. Under the studied conditions, on a polymer backbone of mass 25 mg, we observed a maximum metal hydroxide mass incorporation of 18 mg for the MHCMPs produced at 6 cycles by using 0.4 M iron and aluminium salt solution. Nitrogen adsorption isotherms indicated that the surface area of the MHCMPs increased linearly with the increase in the mass of metal hydroxides incorporated. The polymer backbone with no mass incorporated showed a BET surface area of 18 m(2) g(-1) and the MHCMPs with maximum mass incorporation under the studied conditions showed a BET surface area of 63 m(2) g(-1). MHCMPs with varying mass incorporations were applied for arsenic (As(III)) adsorption and showed a high As(III) removal, indicating that they can serve as potential adsorbents. In addition, MHCMPs incorporated with other metal hydroxides were also produced and characterized to show that this method is applicable for coating these as well.
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20. |
- Leszczynska, M., et al.
(författare)
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Oxide ion distribution, vacancy ordering and electrical behaviour in the Bi3NbO7-Bi3YbO6 pseudo-binary system
- 2014
-
Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 2:43, s. 18624-18634
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Tidskriftsartikel (refereegranskat)abstract
- Oxide ion distribution, vacancy ordering and electrical conductivity has been examined in the Nb/Yb double substituted bismuth oxide based system Bi3Nb1-xYbxO7-x, using X-ray and neutron powder diffraction, reverse Monte Carlo modelling of total neutron scattering data and a. c. impedance spectroscopy. Transference number measurements confirm the system to be predominantly ionically conducting above ca. 450 degrees C. Niobium rich compositions show incommensurate ordering of the fluorite subcell, while increasing ytterbium content results in a commensurate fluorite, with fully disordered cation and anion sublattices. Oxide ion distribution shows both compositional and thermal dependencies. The latter is discussed with respect to its effect on the thermal variation of cubic lattice parameter. Substitution of bismuth by niobium and ytterbium in the cation sublattice of bismuth oxide leads to the creation of Frenkel interstitial oxide ions, which increase the tetrahedral vacancy concentration. The high vacancy concentration is confirmed in both Rietveld and RMC analyses of neutron data. Examination of vacancy ordering, in the x - 0.6 composition, indicates a favouring of vacancy pair alignment.
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21. |
- Lindqvist, Camilla, 1985, et al.
(författare)
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Nucleation-limited fullerene crystallisation in a polymer–fullerene bulk-heterojunction blend
- 2013
-
Ingår i: Journal of Materials Chemistry A. - 2050-7488 .- 2050-7496. ; 1:24, s. 7174-7180
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Tidskriftsartikel (refereegranskat)abstract
- The nucleation and growth kinetics of fullerene crystals in thin films of a polymer:fullerene bulk-heterojunction blend are investigated. We find that both processes are strongly diffusion-limited at 100–110 °C due to the proximity to the glass transition temperatures of the blend components. Whereas the growth rate exponentially increases with temperature up to 230 °C, the nucleation rate displays a broad maximum around 150–170 °C, which coincides with the highest rate of fullerene crystallisation. A time-temperature-transformation (TTT) diagram reveals that across the investigated range of temperatures the low rate of nucleation is responsible for the formation of micrometre-sized crystals, which can be detrimental for polymer solar cells. Thus, we identify the lack of sufficient nucleation, which predominantly occurs on the substrate interface, as the origin of this important degradation mechanism.
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22. |
- Lu, Zhansheng, et al.
(författare)
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Several different charge transfer and Ce3+ localization scenarios for Rh-CeO2(111)
- 2014
-
Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 2:7, s. 2333-2345
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Tidskriftsartikel (refereegranskat)abstract
- We present DFT+U based electronic structure calculations in a p(3 x 3) slab supercell, for low coverages of atomically dispersed Rh interacting with the CeO2(111) surface, comparing Rh as an adatom, and as a dopant substituted into the surface layer. We find that, energetically, a Rh atom approaching a ceria(111) surface with both sparse O and Ce vacancies present strongly prefers to heal the Ce vacancies, but next it prefers to adsorb on a stoichiometric region rather than healing an O vacancy. In the adatom system, Rh is oxidized by electron transfer to a 4f orbital on one Ce ion in the surface layer, which is then nominally converted from Ce4+ -> Ce3+ (i.e. Rh adatoms are single donors). We show that there are a number of different local minima, with Ce3+ localization at 1st, 2nd or 3rd nearest neighbour Ce sites. The second neighbour is the most stable, but all are close in energy. In the Rh-doped system (Rh replaces Ce), Rh is oxidized by charge transfer to neighbouring O atoms, and Rh doping leads to deep acceptor and donor states. Rh is not stable in the O sublattice. Moreover, based on vacancy formation energies, we find that oxygen vacancy formation is strongly enhanced in the vicinity of Rh dopants, but slightly suppressed in the vicinity of Rh adatoms.
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23. |
- Magraso, A., et al.
(författare)
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In situ high temperature powder neutron diffraction study of undoped and Ca-doped La28-xW4+xO54+3x/2 (x=0.85)
- 2013
-
Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 1:11, s. 3774-3782
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Tidskriftsartikel (refereegranskat)abstract
- In situ neutron diffraction experiments of 2% Ca-doped and nominally undoped lanthanum tungstate (La28-xW4+xO54+3x/2, with x = 0.85) have been carried out under controlled pD(2)O and pO(2) at elevated temperatures. All the diffraction patterns could be refined using an average cubic fluorite-related structure, in accordance with recent reports. The material exhibits disorder of the oxygen and the cation sublattices. Splitting of the oxygen sites around tungsten from the 32f to 96k Wyckoff position in the Fm (3) over barm space group improves the model and can better represent the oxygen disorder. No phase transition was detected from room temperature up to 800 degrees C under any of the studied conditions. Expansion of the unit cell constants in the presence of water at intermediate and low temperatures was correlated with the formation of protonic defects. The thermal expansion coefficient for lanthanum tungstate is rather linear under all studied conditions (similar to 11 x 10(-6) K-1). The in situ diffraction studies are correlated with dilatometry investigations and conductivity measurements.
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24. |
- Manca, M., et al.
(författare)
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Tracing charge transfer states in polymer:fullerene bulk-heterojunctions
- 2013
-
Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 1:25, s. 7321-7325
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Tidskriftsartikel (refereegranskat)abstract
- Charge transfer state emission in organic bulk-heterojunctions has been demonstrated to be an important loss mechanism for this reason a better understanding of the nature and origin of the charge transfer state is fundamental for the improvement of organic solar cells. Here, the relationship between photophysical and morphological features of a prototypical organic bulk-heterojunction is investigated in blends with different donor-acceptor ratios. By correlating imaging with photoluminescence spectra measured in different areas of the blends, the charge transfer state emission is unambiguously assigned to microscopical regions in which the intermixing of the two organic semiconductors is higher.
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25. |
- Mille, Christian, et al.
(författare)
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A structural and thermal conductivity study of highly porous, hierarchical polyhedral nanofoam shells made by condensing silica in microemulsion films on the surface of emulsified oil drops
- 2013
-
Ingår i: Journal of Materials Chemistry A. - London : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 1:5, s. 1849-1859
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Tidskriftsartikel (refereegranskat)abstract
- Light-weight solid foams are utilized in applications such as packaging and insulation mainly due to their intrinsically high porosity, low relative density and associated mechanical and transport properties. Here hollow core spherical shells are prepared with walls made of a polyhedral silica nanofoam with open cells. A microemulsion film at the oil-water interface of oil droplets is used as a soft structural template for the condensation of soluble silica species. The microemulsion sets the length scale of the monodisperse silica nanofoam cells, and the emulsion droplets set the micron-scale dimensions of the polydisperse spherical shells. Porosity is achieved by removing the templates and oils, leaving pure low-density silica. This results in a hierarchically structured, highly porous shell foam material that packs into beds with a measured porosity of approximately 97.3%, well into the range of silica aerogels. Using a combination of electron microscopy, small-angle synchrotron X-ray diffraction and nitrogen physisorption, an accurate structural model for the nanofoam shells is constructed. The material is shown to be comprised of open-cell foams that are structurally analogous to dry polyhedral soap froths having minimal surface partitions, and Plateau boundaries. The primary polyhedral nanofoam cells are 30 nm in diameter connected by 7 nm cylindrical windows. These nanofoams form spherical monolithic shells with volume average mean diameter of 41 microns and shell thickness of 0.7 microns. Simple models for the thermal conductivity of these nanofoam shell materials are constructed that include accounting for the nanoscale effects on gaseous and solid thermal conductivity. These are compared to the measured value of 0.041 W m-1 K-1. These materials represent new structures in the family of self-assembled, highly porous silica materials and are potentially useful in packaging and insulation and other applications due to their light weight and/or intrinsically low thermal conductivity and associated mechanical and transport properties.
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26. |
- Mongkhontreerat, Surinthra, et al.
(författare)
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UV initiated thiol-ene chemistry : A facile and modular synthetic methodology for the construction of functional 3D networks with tunable properties
- 2013
-
Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 1:44, s. 13732-13737
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Tidskriftsartikel (refereegranskat)abstract
- A facile methodology for the fabrication of functional crosslinked three dimensional (3D) networks has herein been explored via the benign and UV initiated thiol-ene coupling (TEC) chemistry. The careful selection of monomers or polymers and their feed ratio resulted in straightforward design of organic, inorganic and hydrogel networks with readily available alkenes or thiol functional groups. All crosslinked networks were fabricated within 1 second of UV exposure at wavelengths of 320-390 nm and generally exhibited excellent gel fractions around 90%. By introducing off-stoichiometric thiol and ene (OSTE) monomer feed ratios the window of mechanical properties could be manipulated. For the organic triazine system, the Young's modulus was altered from 780 MPa at an equimolar monomer ratio to soft 106 kPa for 2.5 equiv. with excess of thiol compared to enes. Postfunctionalizations with hydrophilic polyethylene glycols or acrylic acid and hydrophobic heneicosafluorododecyl acrylate were explored for the manipulation of functional networks. In this case, the rigid networks with excess of thiols were used as model substrates of which the initial contact angle (CA) of 60°was decreased to 43°by the introduction of acrylic acid and increased to 140°by successful attachment of fluorinated molecules. Finally, amalgamating micropatterning strategy with simple postfunctionalizations of hydrophobic groups resulted in superhydrophobic rigid surfaces with a CA of 173°.
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27. |
- Nitze, Florian, 1981, et al.
(författare)
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Direct support mixture painting, using Pd(0) organo-metallic compounds - an easy and environmentally sound approach to combine decoration and electrode preparation for fuel cells
- 2014
-
Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 2:48, s. 20973-20979
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Tidskriftsartikel (refereegranskat)abstract
- An inventive, fast and straight-forward approach for the direct preparation of fuel cell electrodes has been developed and tested. Our approach avoids long catalyst preparation and post-synthesis treatment. It reduces the use of chemicals and thereby concomitantly lowers the environmental impact and improves cost efficiency. It combines decoration of the support by palladium nanoparticles with electrode preparation through a simple one-step ink-painting and annealing process. Composites have been investigated by high resolution transmission electron microscopy, scanning electron microscopy, and Xray diffraction. Crystalline particles are well-attached and well-distributed on the support. Particles are of few nanometers in size and spherical for decorated Vulcan whereas they are larger and irregularly shaped for decorated helical carbon nanofibers (HCNFs). Electrodes with a metal loading of 0.8 mg cm(-2) have been tested in a direct formic acid fuel cell. Both the Vulcan and the HCNF electrodes show a similar and high power output of up to 120 mW mg(-1). They also show similar performances in deactivation experiments conducted at 200 mA cm(-2) even when using only high purity grade formic acid. After deactivation the electrodes show no structural damage, making them superior to most commercial catalysts. The electrodes can be completely regenerated to initial activity by simple treatment with water. The easy regeneration process indicates that CO-adsorption on the fuel cell anode catalyst is not the main poisoning mechanism responsible for electrode degeneration.
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28. |
- Shirshova, N., et al.
(författare)
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Polymerised high internal phase ionic liquid-in-oil emulsions as potential separators for lithium ion batteries
- 2013
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Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 1:34, s. 9612-9619
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Tidskriftsartikel (refereegranskat)abstract
- In situ ionic liquid (IL) filled poly(merized) high internal phase emulsion monoliths and films were produced by polymerizing surfactant stabilized IL/monomer emulsion templates. The resulting in situ ionic liquid filled macroporous polymers have almost the ionic conductivity of the neat ionic liquid electrolyte. The effect of surfactant and lithium salt concentration, monomer to crosslinker ratio as well as internal phase volume ratio on the morphology and ionic conductivity were studied. It was found that the morphology of the resulting polyHIPEs affects significantly their ionic conductivity. PolyHIPEs with bigger pore throats have a higher ionic conductivity.
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29. |
- Shirshova, N., et al.
(författare)
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Structural supercapacitor electrolytes based on bicontinuous ionic liquid-epoxy resin systems
- 2013
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Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 1:48, s. 15300-15309
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Tidskriftsartikel (refereegranskat)abstract
- 'Structural electrolytes' retain the desirable mechanical characteristics of structural (epoxy) resins whilst introducing sufficient ionic conductivity to operate as electrolytes in electrochemical devices. Here, a series of ionic liquid-epoxy resin composites were prepared to identify the optimum system microstructure required to achieve a high level of multifunctionality. The ionic conductivity, mechanical properties, thermal stability and morphology of the cured epoxy based structural electrolytes were studied as a function of phase composition for three fully formulated high performance structural epoxy systems. At only 30 wt% of structural resin and 70 wt% of ionic liquid based electrolyte, stiff monolithic plaques with thicknesses of 2-3 mm were obtained with a room temperature ionic conductivity of 0.8 mS cm-1 and a Young's modulus of 0.2 GPa. This promising performance can be attributed to a long characteristic length scale spinodal microstructure, suggesting routes to further optimisation in the future. © 2013 The Royal Society of Chemistry.
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30. |
- Sun, Qiming, et al.
(författare)
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High performance nanosheet-like silicoaluminophosphate molecular sieves : synthesis, 3D EDT structural analysis and MTO catalytic studies
- 2014
-
Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488. ; 2:42, s. 17828-17839
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Tidskriftsartikel (refereegranskat)abstract
- Nanosheet-like silicoaluminophosphate (SAPO) molecular sieves SAPO-34 (CHA-type) and SAPO-18 (AEI-type) with different silicon contents were synthesized under hydrothermal conditions by using tetraethylammonium hydroxide as the template. Three-dimensional electron diffraction tomography (3D EDT) technique was applied for ab initio structure solutions. Electron microscopy observations confirmed the existence of defects, i.e., intergrowth of CHA- and AEI-type frameworks caused by the different stacking manners of double 6-ring layers, but the layers were highly coherent along c direction. Compositions, acidities, chemical environments, and texture properties of all the samples were characterized by ICP, EDS, NH3-TPD, MAS NMR, and N-2 adsorption-desorption measurements. The catalytic performances of methanol-to-olefin (MTO) reactions over nano SAPO catalysts with different silicon contents were systematically studied. All of these catalysts showed excellent catalytic activity, among which SAPO-34 showed superior catalytic performance compared to SAPO-18. DFT calculations were utilized to study the different catalytic performance of CHA and AEI. Significantly to date, SAPO-34 with the lowest silicon content exhibited the longest catalyst lifetime and the lowest coking rate in the MTO reaction than any of the reported catalysts, tested under similar conditions. The straight 8-ring pore channel along the c direction provided the optimum diffusion pathway as well as the shortest diffusion length for reactant and generated olefins, thus significantly reduced the coking rate. This work demonstrates that a 3D EDT approach combined with TEM and EDS analysis from a single nanocrystal can provide a clear crystal structure, crystal orientation and compositional information of nanocrystals, which are useful for the better understanding of the catalytic performance of nanosized crystalline catalysts.
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31. |
- Sun, Wenjun, 1989, et al.
(författare)
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An alternating D-A1-D-A2 copolymer containing two electron-deficient moieties for efficient polymer solar cells
- 2013
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Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 1:37, s. 11141-11144
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Tidskriftsartikel (refereegranskat)abstract
- Unlike normal donor-acceptor (D-A) polymers containing only one electron-deficient segment in their repeating unit, the incorporation of two electron-deficient moieties with different absorption behaviors, forming a D-A1-D-A2 internal structure in the alternating copolymer, showed a broader absorption spectrum than its constituent parts and enhanced photovoltaic performance. This work is anticipated to open the door to the design of new low bandgap polymers with a broader absorption range for efficient polymer solar cells.
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32. |
- Tessarolo, Marta, et al.
(författare)
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Structural tuning of quinoxaline-benzodithiophene copolymers via alkyl side chain manipulation: synthesis, characterization and photovoltaic properties
- 2014
-
Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 2:29, s. 11162-11170
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Tidskriftsartikel (refereegranskat)abstract
- We report here the synthesis and characterization of two novel semiconducting quinoxaline (FQ)-benzodithiophene (BDT) based copolymers, PFQBDT-TR1 and PFQBDT-T2R(2), in which the BDT unit is substituted with either 2-octylthienyl (-TR1) or 2,3-dihexylthienyl (-T2R(2)), respectively, as side groups. The effect of the alkyl side chain(s), linked to the thienyl side groups, on the optical, electronic and morphological properties of the resulting polymers is investigated and correlated with the photovoltaic performance. Solution-processed BHJ solar cells, using these copolymers as electron donor materials and PC61BM (or PC71BM) as an electron acceptor counterpart, are prepared by a blade-coating technique under ambient conditions. As a result, power conversion efficiencies (PCEs) of similar to 5.7% and similar to 3.4% have been achieved for PFQBDT-TR1 and PFQBDT-T2R(2) based devices, respectively, highlighting the crucial role of the alkyl portion of the pi-conjugated side segment in the optoelectronic properties of this class of copolymers.
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33. |
- Valvo, Mario, et al.
(författare)
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Electrochemical elaboration of electrodes and electrolytes for 3D structured batteries
- 2013
-
Ingår i: JOURNAL OF MATERIALS CHEMISTRY A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 1:32, s. 9281-9293
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Tidskriftsartikel (refereegranskat)abstract
- The challenges associated with the fabrication of three-dimensional (3D) electrode and electrolyte materials for Li-ion batteries are discussed. The basic issues for achieving a solid 3D cell foundation, which can simultaneously offer sufficient electronic conductivity to enable stable cycling, as well as enough compatibility with the incorporation of complementary components, have been addressed. Various electrochemical strategies for elaborating such systems are discussed and critically examined. Several current collector systems are presented including electrochemically prepared Cu and Al nanorods and commercial aperiodic carbon structures. Further electrochemical coating approaches then provide a direct method for the deposition of thin layers of active materials successfully demonstrated here as coatings on both 3D metal structures and commercially available 3D-structured carbon substrates. Enhanced capacities per foot print area are demonstrated for a number of 3D electrode materials, namely polyaniline on reticulated vitreous carbon, Cu2O on copper nanorods and TiO2 on Al nanorods. The crucial points for achieving a thin conformal coating of the corresponding 3D electrode structures with solid polymer electrolytes are also carefully analysed and discussed. In this context electro-polymerisation is proposed as a viable route to form thin electrolyte layers with promising characteristics. The high versatility of electro-polymerisation in combination with the various structures and methodologies adopted here represents a further step towards the development of cost-effective 3D microbattery devices.
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34. |
- Valvo, Mario, et al.
(författare)
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The impact of size effects on the electrochemical behaviour of Cu2O-coated Cu nanopillars for advanced Li-ion microbatteries
- 2014
-
Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 2:25, s. 9574-9586
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Tidskriftsartikel (refereegranskat)abstract
- The generation of a distribution of nanoparticles upon conversion reaction of thin Cu2O layers is demonstrated to produce a wide electrochemical potential window, as well as a distinctive capacity increase in large area three-dimensional electrodes. Cu nanopillars with a 10-15 nm Cu2O coating containing traces of nanocrystattine Fe2O3 yield capacities up to 0.265 mA h cm(-2) (at 61 mA g(-1)), excellent cycling for more than 300 cycles and an electroactive potential window larger than 2 V. due to the size effects caused by the various Cu/Cu2O nanopartictes formed during conversion/deconversion. These 3D Li-ion battery electrodes based on etectrodeposited Cu nanopillars spontaneously coated with a Cu2O layer are compatible with current densities of 16 A g(-1) (i.e. 61 C rates) after aerosol-assisted infiltration with an iron acetate solution followed by low-temperature pyrolysis. The capacity of the composite material increases by 67% during 390 cycles due to the growth of the electroactive area during the electrochemical milling of Cu2O forced by its repeated conversion/de-conversion. The latter generates a distribution of nanoparticles with different sizes and redox potentials, which explains the broad potential window, as well as the significant capacity contribution from double layer charging. These 3D electrodes should be well-suited for Li-ion microbatteries and Li-ion batteries in general, since they combine high capacities per footprint area with excellent power capabilities. More importantly, such electrodes grant access to fundamental understanding of the electrochemical behaviour of these active materials providing new insights into both conversion mechanisms and nanostructured interfaces more in general.
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35. |
- Wang, Yan, et al.
(författare)
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Molecular dynamics simulation of strong interaction mechanisms at wet interfaces in clay-polysaccharide nanocomposites
- 2014
-
Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488. ; 2:25, s. 9541-9547
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Tidskriftsartikel (refereegranskat)abstract
- Bio-composites comprised of the polysaccharide xyloglucan (XG) and montmorillonite (MTM) clay has potential as a 'green' replacement of conventional petroleum-derived polymers in the packaging industry. These materials have been shown to possess excellent material properties, even in high relative humidity. Although interfacial interaction between XG and MTM, and the molecular structure of XG can be identified as key parameters for the complex formation process and the resulting tensile properties, these properties are usually difficult to address using experimental methods. Here we use molecular dynamics (MD) simulations to study the adsorption of fully atomistic models of both native and chemically modified XG to MTM clay surfaces in explicit water. We show that the driving force for adsorption is a favorable change in enthalpy, and furthermore that native XG adsorbs stronger than modified XG. This highlights the importance of molecular structure details to molecular adhesion. The present study provides insights into the molecular scale adsorption mechanisms and can therefore help in designing routes for further improvements of bio-composite materials.
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36. |
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37. |
- Wang, Zhaohui, et al.
(författare)
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High areal and volumetric capacity sustainable all-polymer paper-based supercapacitors
- 2014
-
Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488. ; 2:39, s. 16761-16769
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Tidskriftsartikel (refereegranskat)abstract
- All-polymer paper-based electrodes with a thickness up to hundreds of micrometers (e.g. 290 mu m), large active mass loadings (>20 mg cm(-2)) and relatively high densities (1.23 g cm(-3)) can be straightforwardly obtained from pristine low-cost polypyrrole-cellulose composites by decreasing the porosity of the material via space engineering. By straightforward compression of the composites, compact capacitive storage devices with improved space utilization are obtained without significantly compromising the electrochemical performance of the devices. This indicates that the compression unlike other methods previously used to vary the porosity of these composites does not affect the distribution of the mesopores which mainly determines the electrochemical performance of the material. When used to manufacture green supercapacitors comprising entirely of environmentally friendly materials, the freestanding and binder-free porous yet dense electrodes yield an areal capacitance of 5.66 F cm(-2), a device volumetric energy density of 3.7 W h L-1 (based on the volume of the entire device) and the largest volumetric electrode capacitance of 236 F cm(-3) so far reported for conducting polymer-based electrodes. The presented results for symmetric supercapacitors containing aqueous electrolytes represent significant progress in the development of inexpensive and environmentally friendly high-performance paper-based energy storage devices.
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38. |
- Wei, Wei, et al.
(författare)
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High energy and power density TiO2 nanotube electrodes for 3D Li-ion microbatteries
- 2013
-
Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 1:28, s. 8160-8169
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Tidskriftsartikel (refereegranskat)abstract
- Highly ordered anodic TiO2 nanotube arrays with a tube length of 9 mm are shown to provide areal capacities of 0.24 mA h cm(-2) (i.e. 96 mA h g(-1)) at a charge/discharge current density of 2.5 mA cm(-2) (corresponding to a rate of 5 C) and 0.46 mA h cm(-2) (i.e. 184 mA h g(-1)) at 0.05 mA cm(-2), when used as 3D free-standing anodes in Li-ion microbatteries. The present nanotube electrodes, which could be cycled for 500 cycles with only 6% loss of capacity, exhibited significantly higher energy and power densities, as well as an excellent cycling stability compared to previously reported TiO2-based Li-ion microbattery electrodes. The influence of parameters such as ordering, geometry and crystallinity of the nanotubes on the microbattery performance was investigated. A two-step anodization process followed by annealing of the nanotubes was found to yield the best microbattery performance. It is also demonstrated that the rate capability of the electrode depends mainly on the rate of the structural rearrangements associated with the lithiation/delithiation reaction and that the areal capacity at various charge/discharge rates can be increased by increasing the tube wall thickness or the length of the nanotubes, up to 0.6 mA h cm(-2) for 100 cycles.
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39. |
- Wicklein, Bernd, et al.
(författare)
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Functional hybrids based on biogenic nanofibrils and inorganic nanomaterials
- 2013
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Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 1:18, s. 5469-5478
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Tidskriftsartikel (refereegranskat)abstract
- This feature article reviews some of the recent work on the fabrication of functional hybrids based on biogenic nanofibers and inorganic nanomaterials with an emphasis on their functional properties and suggested potential applications. We also discuss some of the work oriented towards the formation of ordered materials in the pursuit of achieving a hierarchical construction. Besides the academic interest in biogenic nanomaterials, it is anticipated that the use of natural, abundant nanomaterials, e.g., cellulose, chitin, collagen, and silk, could provide affordable functional nanomaterials in developing countries.
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40. |
- Willgert, Markus, et al.
(författare)
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Cellulose nanofibril reinforced composite electrolytes for lithium ion battery applications
- 2014
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Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 2:33, s. 13556-13564
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Tidskriftsartikel (refereegranskat)abstract
- The present study describes the synthesis and characterization of a series of four composite electrolytes for lithium ion battery applications. The two-phase electrolytes are composed of a soft, ionic conductive poly(ethylene glycol) (PEG) matrix having stiff nanofibrillated cellulose (CNF) paper as reinforcement to provide mechanical integrity. The reinforcing CNF is modified in order to create covalent bonds between the phases which is particularly beneficial when swelling the composite with a liquid electrolyte to enhance the ionic conductivity. After swelling the composite polymer electrolyte, forming a gelled structure, values of ionic conductivity at 5 x 10(-5) S cm(-1) and an elastic modulus around 400 MPa at 25 degrees C are obtained.
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41. |
- Wu, Ming-Chung, et al.
(författare)
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Photo-Kelvin probe force microscopy for photocatalytic performance characterization of single filament of TiO2 nanofiber photocatalysts
- 2013
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Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 1:18, s. 5715-5720
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Tidskriftsartikel (refereegranskat)abstract
- This is an in-depth study on the photocatalytic performance characterization for single filament of TiO2 nanofiber photocatalysts by the novel photo-Kelvin probe force microscopy technique (photo-KPFM) and first principles calculations. Three kinds of TiO2 nanofibers: anatase TiO2 nanofibers (anatase TiO2 NFs), nitrogen doped TiO2 nanofibers (N-TiO2 NFs), and nitrogen doped TiO2 nanofibers decorated with platinum nanoparticles (N-TiO2-Pt NFs) were investigated. The N-TiO2-Pt NFs exhibit the largest negative photo surface potential shift (-182 mV) as compared to anatase TiO2 NFs (-29 mV). The first-principles calculations based on density functional theory (CASTEP simulation software) indicate that the significant photo surface potential shift obtained by adding nitrogen and platinum into TiO2 NFs is induced by two mechanisms: (1) enhancement in absorbance to increase exciton generation and (2) decreased charge recombination to increase surface charge. These changes in the photo surface potential of various TiO2 nanofibers are closely correlated with their photocatalytic activity. Thus, this novel photo-KPFM provides a useful technique to easily monitor the photocatalytic capability of materials in the development of high performance photocatalysts.
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42. |
- Wu, Qiong, et al.
(författare)
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Highly porous flame-retardant and sustainable biofoams based on wheat gluten and in situ polymerized silica
- 2014
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Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 2:48, s. 20996-21009
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Tidskriftsartikel (refereegranskat)abstract
- This article presents a novel type of flame-retardant biohybrid foam with good insulation properties based on wheat gluten and silica, the latter polymerized in situ from hydrolysed tetraethyl orthosilicate (TEOS). This led to the formation of intimately mixed wheat gluten and silica phases, where, according to protein solubility measurements and infrared spectroscopy, the presence of silica had prohibited full aggregation of the proteins. The foams with "built-in" flame-retardant properties had thermal insulation properties similar to those of common petroleum- and mineral-based insulation materials. The foams, with a porosity of 87 to 91%, were obtained by freeze-drying the liquid mixture. Their internal structure consisted of mainly open cells between 2 and 144 mu m in diameter depending on the foam formulation, as revealed by mercury intrusion porosimetry and scanning electron microscopy. The foams prepared with >= 30% TEOS showed excellent fire-retardant properties and fulfilled the criteria of the best class according to UL94 fire testing standard. With increasing silica content, the foams became more brittle, which was prevented by cross-linking the materials (using gluteraldehyde) in combination with a vacuum treatment to remove the largest air bubbles. X-ray photoelectron and infrared spectroscopy showed that silicon was present mainly as SiO2 .
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43. |
- Xu, Bo, et al.
(författare)
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Efficient solid state dye-sensitized solar cells based on an oligomer hole transport material and an organic dye
- 2013
-
Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496 .- 0959-9428 .- 1364-5501. ; 1:46, s. 14467-14470
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Tidskriftsartikel (refereegranskat)abstract
- A low-cost and easily-synthesized organic hole transport material (HTM) X3 bearing triphenylamine units and an organic dye was utilized for solid state dye sensitized solar cells (ssDSCs), which have achieved the power conversion efficiencies of 5.8% and 7.1% under 1 sun and 0.46 sun, respectively, outperforming the ssDSC based on Spiro-OMeTAD 5.4% (1 sun) and 6.4% (0.46 sun).
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44. |
- Xu, Chao, et al.
(författare)
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Interface layer formation in solid polymer electrolyte lithium batteries : an XPS study
- 2014
-
Ingår i: JOURNAL OF MATERIALS CHEMISTRY A. - : Royal Society of Chemistry (RSC). - 2050-7488. ; 2:20, s. 7256-7264
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Tidskriftsartikel (refereegranskat)abstract
- The first characterization studies of the interface layer formed between a Li-ion battery electrode and a solid polymer electrolyte (SPE) are presented here. SPEs are well known for their electrochemical stability and excellent safety, and thus considered good alternatives to conventional liquid/gel electrolytes in high-energy density battery devices. This work comprises studies of solid electrolyte interphase (SEI) formation in SPE-based graphite|Li cells using X-ray photoelectron spectroscopy (XPS). SPEs based on high molecular weight poly(ethylene oxide) (PEO) and lithium bis(trifluoromethanesulfonyl) imide (LiTFSI) salt are studied. Large amounts of LiOH are observed, and the XPS results indicate a correlation with moisture contamination in the SPEs. The water contents are quantitatively determined to be in the range of hundreds of ppm in the pure PEO as well as in the polymer electrolytes, which are prepared by a conventional SPE preparation method using different batches of PEO and at different drying temperatures. Moreover, severe salt degradation is observed at the graphite-SPE interface after the 1st discharge, while the salt is found to be more stable at the Li-SPE interface or when using LiTFSI-based liquid electrolyte equivalents.
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45. |
- Xu, Chao, et al.
(författare)
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Synthesis of microporous organic polymers with high CO2-over-N-2 selectivity and CO2 adsorption
- 2013
-
Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 1:10, s. 3406-3414
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Tidskriftsartikel (refereegranskat)abstract
- A series of microporous organic polymers (MOPs) were synthesized by Schiff base condensation of 1,3,5-tris(4-aminophenyl)benzene and a number of dialdehyde monomers. The polymers were structurally characterized by in situ infrared and ex situ solid state C-13{H-1} nuclear magnetic resonance (NMR) spectroscopy. Synthesis conditions were optimized to enhance CO2 uptake by the MOPs. Synthesis at low temperatures results in the MOPs being linked by imine groups. Heating of the MOPs reduces the number of imine groups and after heating to >300 degrees C nitrile groups were found to be present in the MOPs. The MOPs have specific surface areas up to 614 m(2) g(-1) and narrow pore size distributions of similar to 4 to 8 angstrom. The selectivity of CO2-over-N-2 at 273 K and 1 bar was 56-77, which requires either an influence of chemisorption on CO2 or a molecular sieving (or kinetic selection) of CO2-over-N-2. The materials had also heats of adsorption typical for physisorption of CO2.
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46. |
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47. |
- Zhao, Jianghua, et al.
(författare)
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Highly efficient iso-quinoline cationic organic dyes without vinyl groups for dye-sensitized solar cells
- 2013
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Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 1:7, s. 2441-2446
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Tidskriftsartikel (refereegranskat)abstract
- Four organic dyes without a vinyl group are synthesized and applied in dye-sensitized solar cells (DSSCs). The iso-quinoline cation is employed firstly as an electron acceptor in the dye molecular structure. The effect of different dye structures on the photo-electrochemical properties and the performance of the DSSCs are systematically studied. The photovoltaic performances of the DSSCs sensitized by the JH304 dye exhibit the best conversion efficiency of 7.3% (under standard AM 1.5G illumination (100 mW cm(-2))) with a short-circuit current density (J(sc)) of 14.4 mA cm(-2), an open-circuit voltage (V-oc) of 684 mV and a fill factor (ff) of 74.4%. In comparison, the device sensitized by the N719 dye shows an efficiency of 7.9%. The DSSC device sensitized by JH304 also exhibits excellent soaking stability under sunlight for 1000 h.
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48. |
- Zhao, Yichen, et al.
(författare)
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Relaxation is the key to longer life : suppressed degradation of P3HT films on conductive substrates
- 2014
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Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry (RSC). - 2050-7488 .- 2050-7496. ; 2:33, s. 13270-13276
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Tidskriftsartikel (refereegranskat)abstract
- Here we show the dependence of the degree of degradation of poly-3-hexylthiophene (P3HT) films on the conductivity of the supporting substrate. P3HT is widely used for organic solar cells and electronic devices because it allows simple, low cost fabrication and has potential for the fabrication of flexible devices. However, P3HT is known to have a relatively low photostability, and investigating the photodegradation mechanism is an active research field. We find that P3HT films on conductive substrates show significantly retarded degradation and retain their chemical and morphological features when compared to similar films on glass substrates. This 'substrate effect' in retarding the degradation of P3HT films is evident even upon prolonged exposure to air for up to five months.
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49. |
- Zhen, Hongyu, et al.
(författare)
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Solution-processed bulk-heterojunction organic solar cells employing Ir complexes as electron donors
- 2014
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Ingår i: Journal of Materials Chemistry A. - : Royal Society of Chemistry. - 2050-7488 .- 2050-7496. ; 2:31, s. 12390-12396
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Tidskriftsartikel (refereegranskat)abstract
- To explore enhancing photocurrent in organic solar cells (OSCs) via harvesting triplet excitons, two novel bicycloiridium complexes (R-1 and R-2) are designed and synthesized. Conventional bulk-heterojunction triplet OSCs are solution processed using R-1 or R-2 as sole electron donors and phenyl-C-71-butyric acid methyl ester (PC71BM) as the electron acceptor. A decent short circuit current (J(sc)) of 6.5 mA cm(-2) is achieved though the overlap between the absorption spectrum (with similar to 550 nm absorption onset) of R-2 and the solar flux is relatively small. With an open circuit voltage of 0.74 V and a fill factor of 0.42, an encouraging power conversion efficiency of 2.0% is achieved in the OSCs based on R-2 and PC71BM without any processing additives and post-treatments. Our preliminary result demonstrates the possibility of utilizing Ir complexes as sole electron donors in OSCs, which extends available soluble small molecules for OSCs.
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50. |
- Zhuang, Wenliu, 1979, et al.
(författare)
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Computational modelling of donor–acceptor conjugated polymers through engineered backbone manipulations based on a thiophene–quinoxaline alternating copolymer
- 2014
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Ingår i: Journal of Materials Chemistry A. - 2050-7488 .- 2050-7496. ; 2:7, s. 2202-2212
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Tidskriftsartikel (refereegranskat)abstract
- The rapid progress of bulk heterojunction organic photovoltaics has been boosted by (i) design and synthesis of novel conjugated donor materials, (ii) control and optimization of device fabrication, and (iii) the development of new device architectures such as tandem and ternary solar cells. Computationally driven material design has attracted increasing interest to accelerate the search for optimal conjugated photovoltaic materials, and the exploration of chemical methodologies is highly desirable in pushing the efficiency further towards the theoretical limit. Based on the motif of donor–acceptor polymers, over 50 comparable polymers were constructed and investigated, derived from an easily accessible thiophene–quinoxaline alternating polymer donor showing power conversion efficiency up to 7%. We performed a systematic density functional theory (DFT) study on the heteroatom effects of combining fluorine, nitrogen and chalcogen substitutions onto the donor/acceptor units as well as the effect of extending π-conjugation in the donor moiety, in order to gain insights into how structural modifications to the conjugated backbone can affect the molecular structure and electronic properties of a conjugated polymer. It is found that the trends in the energy levels and band gaps of these polymers correlate well to their structural modifications. Finally, by examining the systematically evaluated data in the energy diagram, we proposed three important ways of energy level modulation, showing potential chemical methodologies that can be applicable to further modify and optimize existing polymer backbones. Especially such energy level modulation can be applied to meet the particular requirements of different device architectures (including tandem and ternary solar cells) on the donor components, such as a prominent photocurrent or photovoltage combined with a high efficiency, to further maximize the overall performance of organic photovoltaics. This will provide valuable guidance and chemical methodologies for a judicious material design of conjugated polymers for solar cell applications with desirable photovoltaic characteristics.
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