| 1. |
- Dussauze, M., et al.
(författare)
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Lithium Ion Conducting Boron-Oxynitride Amorphous Thin Films: Synthesis and Molecular Structure by Infrared Spectroscopy and Density Functional Theory Modeling
- 2013
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Ingår i: Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 117:14, s. 7202-7213
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Tidskriftsartikel (refereegranskat)abstract
- Li ion containing oxynitride amorphous thin films are promising materials for electrochemical applications due to their high ionic conductivity, mechanical stability and chemical durability. Here we report on the preparation of Li boron-oxynitride (LiBON) amorphous thin films by rf sputtering of Li-diborate and Li-pyroborate targets in nitrogen atmosphere. The materials produced were subsequently studied by infrared transmittance spectroscopy assisted by density functional theory calculations using representative Li boron-oxide and boron-oxynitride clusters. The combination of experiments and calculations allows us to propose accurate vibrational assignments and to clarify the complex infrared activity of the LiBON films. Both experimental and calculated spectra show that nitrogen incorporation induces significant structural rearrangements, manifested mainly by a change in boron coordination number from four to three, and by the formation of boron-nitrogen-boron bridges. The nature of boron-nitrogen bonding depends on the composition of the sputtering target, with an exponential relationship adequately describing the dependence of B-N stretching frequency on bond length. Besides bonding to two boron atoms by covalent bonds, the nitrogen atoms interact also with Li ions by participating in their coordination sphere together with oxygen atoms. Likely, boron-nitrogen bonding in LiBON films facilitates Li ion transport due to induced charge delocalization within the boron-nitrogen-boron bridges and reduced electrostatic interaction with the Li ions.
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| 2. |
- Fu, Yifeng, 1984, et al.
(författare)
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Selective growth of double-walled carbon nanotubes on gold films
- 2012
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Ingår i: Materials Letters. - : Elsevier BV. - 1873-4979 .- 0167-577X. ; 72, s. 78-80
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Tidskriftsartikel (refereegranskat)abstract
- Growth of high-quality vertical aligned carbon nanotube (CNT) structures on silicon supported gold (Au) films by thermal chemical vapor deposition (TCVD) is presented. Transmission electron microscopy (TEM) images show that the growth is highly selective. Statistical study reveals that 79.4% of the as-grown CNTs are double-walled. The CNTs synthesized on Au films are more porous than that synthesized on silicon substrates under the same conditions. Raman spectroscopy and electrical characterization performed on the as-grown double-walled CNTs (DWNTs) indicate that they are competitive with those CNTs grown on silicon substrates. Field emission tests show that closed-ended DWNTs have lower threshold field than those open-ended.
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| 3. |
- Fu, Yifeng, 1984, et al.
(författare)
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Templated Growth of Covalently Bonded Three-Dimensional Carbon Nanotube Networks Originated from Graphene
- 2012
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Ingår i: Advanced Materials. - : Wiley. - 0935-9648 .- 1521-4095. ; 24:12, s. 1576-1581
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Tidskriftsartikel (refereegranskat)abstract
- A template-assisted method that enables the growth of covalently bonded three-dimensional carbon nanotubes (CNTs) originating from graphene at a large scale is demonstrated. Atomic force microscopy-based mechanical tests show that the covalently bonded CNT structure can effectively distribute external loading throughout the network to improve the mechanical strength of the material.
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| 4. |
- Johansson, Patrik, 1969, et al.
(författare)
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The conductivity of pyrrolidinium and sulfonylimide based ionic liquids: A combined experimental and computational study
- 2010
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Ingår i: Journal of Power Sources. - : Elsevier BV. - 0378-7753. ; 195:7, s. 2074-2076
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Tidskriftsartikel (refereegranskat)abstract
- Ionic conductivity is a fundamental property of ionic liquids with its origin and exact nature under debate. Using a specially selected system of pyrrolidinium cations (PYR1x, x = 3,4) and sulfonylimide anions (FSI, TFSI, BETI, and IM14)-based ionic liquids we observe a simple and accurate connection between ab initio computed cation and anion volumes and measured molar ionic conductivities.
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| 5. |
- Karlsson, Maths, et al.
(författare)
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Short-range structure of proton-conducting BaM0.10Zr0.90O2.95 (M = Y, In, Sc and Ga) investigated with vibrational spectroscopy
- 2010
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Ingår i: Solid State Ionics. - : Elsevier BV. - 0167-2738 .- 1872-7689. ; 181:3-4 (Sp. Iss.), s. 126-129
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Tidskriftsartikel (refereegranskat)abstract
- The short-range structures of hydrated and dry samples of the proton-conducting, cubic-structured, acceptor-doped perovskites BaM0.10Zr0.90O2.95 (M=Y, In, Sc and Ga), and, for comparison, BaZrO3, have been investigated using infrared and Raman spectroscopy. The results show that the acceptor-doping leads to local structural distortions of the average cubic structure, most likely related to tilts of (M/Zr)O-6 octahedra, and that the distortions are most pronounced in the Ga-doped material for which we also find additional distortions upon hydration. For the Y-, In- and Sc-doped equivalents the distortions are somewhat weaker and hydration is found to have a reversed, although weak, effect. A comparison of the spectroscopic results to the reported proton diffusivities of the investigated materials would suggest that the much lower proton diffusivity in the Ga-doped material is associated to its stronger structural distortions. (C) 2009 Elsevier B.V. All rights reserved.
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| 6. |
- Karlsson, Maths, et al.
(författare)
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Temperature-Dependent Infrared Spectroscopy of Proton-Conducting Hydrated Perovskite BaInxZr1-xO3-x/2 (x=0.10-0.75)
- 2010
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Ingår i: Journal of Physical Chemistry C. - : American Chemical Society (ACS). - 1932-7447 .- 1932-7455. ; 114:13, s. 6177-6181
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Tidskriftsartikel (refereegranskat)abstract
- We investigate the temperature dependence of the O-H stretch band in the infrared absorbance spectra of the proton-conducting hydrated perovskites BaInxZr1-xO3-x/2 (x = 0.10-0.75) over the temperature range -160 to 350 degrees C. Upon increasing temperature from -160 to 30 degrees C, we show that there is a redistribution of protons from nonsymmetrical structural configurations, such as Zr-OH-In and Zr-OH-Zr-vacancy, where the degree of hydrogen bonding between the protons and neighboring oxygens is strong, to symmetrical configurations, such as Zr-OH-Zr and In-OH-In, where hydrogen bonding is weaker. Spectra measured at elevated temperatures, 30-350 degrees C, indicate preferential desorption of protons in sites where the degree of hydrogen bonding is strong, and show that the materials gradually dehydrate with increasing temperature. The dehydration rate is found to be highest in the temperature range 275-325 degrees C. Furthermore, the spectroscopic results indicate that strong hydrogen bonding, caused by dopant-induced short-range structural distortions, is favorable for high proton mobility and that the rate-limiting step in the conduction mechanism is the proton transfer between neighboring oxygens.
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| 7. |
- Karlsson, Maths, 1978, et al.
(författare)
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Using Neutron Spin-Echo To Investigate Proton Dynamics in Proton-Conducting Perovskites
- 2010
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Ingår i: Chemistry of Materials. - : American Chemical Society (ACS). - 1520-5002 .- 0897-4756. ; 22:3, s. 740-742
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Tidskriftsartikel (refereegranskat)abstract
- The applicability and potential of neutron spin-echo (NSE) to study proton dynamics in proton-conducting ceramics was studied. The experiment was performed on hydrated BaZr 0,90 Y 0.10 O 2.95 (10Y:BZO), a cubic perovskite with a relatively high proton conductivity. The NSE experiment was performed at the IN15 spectrometer at Institut Laue-Langevin (ILL) in Grenoble, France. The relaxation rate for two Q-values for the temperature 563 K was determined. The first-principles calculations were carried out within the framework of density functional theory (DFT). The calculated diffusion harriers far from Y-dopants are found to he 0.20 and 0.18 eV for the proton transfer and hydroxyl rotation motion, respectively. The binding energy to a Y-dopant is 0.16 eV, and the influence of the Y-dopant on the energetics for the proton is quite extended in space, including both the first and the second coordination shells.
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| 8. |
- Kim, Jae-Kwang, 1978, et al.
(författare)
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2,3,6,7,10,11-Hexamethoxytriphenylene (HMTP): A new organic cathode material for lithium batteries
- 2012
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Ingår i: Electrochemistry Communications. - : Elsevier BV. - 1388-2481. ; 21:1, s. 50-53
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Tidskriftsartikel (refereegranskat)abstract
- We propose a new organic cathode material for rechargeable lithium battery applications: 2,3,6,7,10,11-hexamethoxytriphenylene (HMTP). HMTP is composed of six methoxy functional groups substituted onto a central triphenylene moiety. The cell, incorporating 40 wt.% of organic cathode material, exhibits full specific capacity at current densities up to 3 C. The main advantage of HMTP as organic cathode material lies in a stable cell performance and negligible self discharge, even though the capacity is lower, similar to 66 mAh/g, compared to other organic cathode materials. Cells with the HMTP cathode showed >95% retention of the initial discharge capacity after 50 cycles at 1 C and self-discharge was not observed during a full month of open circuit voltage measurements. The latter is due to the fact that the nature of the HMTP radical is fundamentally different from other organic cathode materials' radicals.
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| 9. |
- Kim, Jae-Kwang, 1978, et al.
(författare)
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An Imidazolium based ionic liquid electrolyte for lithium batteries
- 2010
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Ingår i: Journal of Power Sources. - : Elsevier BV. - 0378-7753. ; 195:22, s. 7639-7643
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Tidskriftsartikel (refereegranskat)abstract
- An electrolyte for lithium batteries based on the ionic liquid 3-methy-1-propylimidazolium bis(trifluoromethysulfony)imide (PMIMTFSI) complexed with lithium bis(trifluoromethysulfony)imide (LiTFSI) at a molar ratio of 1:1 has been investigated. The electrolyte shows a high ionic conductivity (1.2 × 10−3 S cm−1) at room temperature. Over the whole investigated temperature range the ionic conductivity is more than one order of magnitude higher than for an analogue electrolyte based on N-butyl-N-methyl-pyrrolidinium bis(trifluoromethanesulfonyl)imide (Py14TFSI) complexed with LiTFSI and used here as a benchmark. Raman results indicate furthermore that the degree of lithium coordinated TFSI is slightly lower in the electrolyte based on PMIMTFSI and thus that the Li+ charge carriers should be higher than in electrolytes based on Py14TFSI. An ionic liquid gel electrolyte membrane was obtained by soaking a fibrous fully interconnected membrane, made of electrospun P(VdF-HFP), in the electrolyte. The gel electrolyte was cycled in Li/ionic liquid polymer electrolyte/Li cells over 15 days and in Li/LiFePO4 cells demonstrating good interfacial stability and highly stable discharge capacities with a retention of >96% after 50 cycles (146 mAh g−1).
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| 10. |
- Kim, Jae-Kwang, 1978, et al.
(författare)
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Characterization of N-butyl-N-methyl-pyrrolidinium bis(trifluoromethanesulfonyl)imide-based polymer electrolytes for high safety lithium batteries
- 2013
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Ingår i: Journal of Power Sources. - : Elsevier BV. - 0378-7753. ; 224:15 Feb. 2013, s. 93-98
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Tidskriftsartikel (refereegranskat)abstract
- Poly(vinylidene difluoride-co-hexafluoropropylene) (PVdF-HFP) membrane was prepared by electrospinning. The membranes served as host matrices for the preparation of ionic liquid-based polymer electrolytes (ILPEs) by activation with non-volatile, highly thermally stable, and safe room temperature ionic liquid (RTIL) electrolytes; N-butyl-N-methyl-pyrrolidinium bis(trifluoromethanesulfonyl)imide (Py14TFSI) complexed with 1 M lithium bis(trifluoromethanesulfonyl)imide (LiTFSI). In this work, the first combination of electrospun PVdF-HFP fiber polymer host and pyrrolidinium-based ionic electrolyte was employed for highly stable lithium batteries. The ILPE exhibited low Li+-TFSI coordination, low crystallinity, high thermal stability, high electrochemical stability, and high ionic conductivity with a maximum of 1.1 x 10(-4) S cm(-1) at 0 degrees C. The ILPE exhibited good compatibility with a LiFePO4 electrode on storage and good charge-discharge performance in Li/ILPE/LiFePO4!
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