| 1. |
- Sillrén, Per, 1982, et al.
(författare)
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A statistical model of hydrogen bond networks in liquid alcohols
- 2012
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Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 1089-7690 .- 0021-9606. ; 136:9, s. 094514-094521
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Tidskriftsartikel (refereegranskat)abstract
- We here present a statistical model of hydrogen bond induced network structures in liquid alcohols. The model generalises the Andersson-Schulz-Flory chain model to allow also for branched structures. Two bonding probabilities are assigned to each hydroxyl group oxygen, where the first is the probability of a lone pair accepting an H-bond and the second is the probability that given this bond also the second lone pair is bonded. The average hydroxyl group cluster size, cluster size distribution, and the number of branches and leaves in the tree-like network clusters are directly determined from these probabilities. The applicability of the model is tested by comparison to cluster size distributions and bonding probabilities obtained from Monte Carlo simulations of the monoalcohols methanol, propanol, butanol, and propylene glycol monomethyl ether, the di-alcohol propylene glycol, and the tri-alcohol glycerol. We find that the tree model can reproduce the cluster size distributions and the bonding probabilities for both mono- and poly-alcohols, showing the branched nature of the OH-clusters in these liquids. Thus, this statistical model is a useful tool to better understand the structure of network forming hydrogen bonded liquids. The model can be applied to experimental data, allowing the topology of the clusters to be determined from such studies.
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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. |
- Zhang, Zhfei, et al.
(författare)
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Characterization of CNT Enhanced Conductive Adhesives in Terms of Thermal Conductivity
- 2012
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Ingår i: ECS Transactions. - : The Electrochemical Society. - 1938-5862 .- 1938-6737. - 9781607683186 ; 44:1, s. 1011-1017
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Konferensbidrag (refereegranskat)abstract
- CNTs have excellent thermal, electrical and mechanical properties. They can be used in various ways. One researched field of application is CNT-polymer composites which combine common technologies with advanced materials. This paper will focus on the thermal property of CNT-Ag-filled adhesives and compares the new materials with conventional, electrical Ag-filled conductive adhesives. Several analytical methods, FTIR, Raman analysis, SEM and TEM have been carried out to examine the different surface conditions after physicval and chemical modification of CNTs. The thermal conductivities of composites containing different types of CNTs were investigated. The incorporation of CNTs into polymers resulted in enhancement of the thermal conductivity compared to Ag-filler. The increase of thermal conductivity with addition of CNT filler is obvious, especially for the purified CNT. The value of thermal conductivity is about two times higher than the Ag-filled conductive adhesive. However, improvement on thermal conductivity of the surface modified CNT-filled conductive adhesives is not so obvious. Since the thermal conduction in CNT is by phonon transfer, the nanometric size and the huge interface lead to strong phonon-scattering at the interface. Thus, a relatively low interfacial area, weak interfacial adhesion promotes the conduction of phonons and minimizes coupling losses. According to this, the non-treated MWCNTs seem to have the highest potential to improve the thermal conductivity of epoxies.
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| 5. |
- Bielecki, Johan, 1982, et al.
(författare)
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Structural and magnetic properties of isovalently substituted multiferroic BiFeO3 : Insights from Raman spectroscopy
- 2012
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Ingår i: Physical Review B Condensed Matter. - 0163-1829 .- 1095-3795. ; 86:184422
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Tidskriftsartikel (refereegranskat)abstract
- Raman spectra, supplemented by powder x-ray diffraction and magnetization data of isovalently A- and B-site substituted BiFeO3 in the Bi1−xLaxFeO3 (0≤x≤1), Bi1−xTbxFeO3 (0≤x≤0.2), and Bi0.9Sm0.1Fe1−xMnxO3 (0≤x≤0.3) series, are presented. A good agreement between the structural transitions observed by x-ray diffraction and the vibrational modes observed in the Raman spectra is found over the whole substitutional ranges, and in particular we find spectroscopic signatures of a PbZrO3-type structure for Bi0.8La0.2FeO3. Mode assignments in the substituted materials are made based on Raman spectra of the end-members BiFeO3 and LaFeO3. Moreover, by comparing spectra from all samples with R3c structure, the phonon assignment in BiFeO3 is revisited. A close connection between the degree of octahedral tilt and the Raman shift of the A1 oxygen a−a−a− tilt mode is established. An explanation for the strong second-order scattering observed in Bi1−xLaxFeO3 and Bi1−xTbxFeO3 is suggested, including the assignment of the previously mysterious BiFeO3 mode at 620 cm−1. Finally, the magnetization data indicates a transition from a cycloidal modulated state towards a canted antiferromagnet with increasing A-site substitution, while Bi0.9Sm0.1Fe1−xMnxO3 with x=0 and 0.15 exhibit an anomalous closing of the hysteresis loop at low temperatures. For low A-site substitution levels (x≤0.1) the decreasing Raman intensity of the Fe derived modes correlates with the partial destruction of the spin cycloid as the substitution level increases.
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| 6. |
- Bielecki, Johan, 1982
(författare)
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Structure and Dynamics in Transition Metal Perovskites — An Optical Spectroscopy Study
- 2012
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Doktorsavhandling (övrigt vetenskapligt/konstnärligt)abstract
- Transition metal oxides with the perovskite structure exhibit a vast number of exotic properties due to the large number of competing degrees of freedom at the Fermi surface. Together with couplings between and correlations within these degrees of freedom, this class of materials is of high interest from both a practical and theoretical point of view. In this thesis, the properties of four different perovskite systems and their relation to structure and dynamics is investigated: La1-x CaxMnO3, exhibiting the colossal magnetoresistance effect; LaCoO3, undergoing spin-state transitions influenced by complicated electron-lattice interactions; BiFeO3 that is of the only known room-temperature multiferroic materials; and the proton conductor BaInO3H.Two kinds of optical spectroscopy methods have been used to investigate the structure and dynamics of these transition metal perovskites. Raman spectroscopy measures low-energy excitations and is, in combination with group theoretical selection rules, a sensitive probe of electronic, atomic, and magnetic structure. Ultrafast time-resolved spectroscopy is used to study, in real time, fundamental dynamics and interaction mechanisms on the femtosecond timescale.Utilizing time resolved pump-probe reflectance spectroscopy, thermal and lattice contributions to the spin-state transition are temporarily decouple, and the first explicit observation of the high-spin repulsion in LaCoO3, first conjectured by Goodenough in the 1950's, is presented. This opens up a novel avenue for investigating the spin-state transition in LaCoO3. With the same experimental technique, the electron-lattice, lattice-spin, and electron-spin dynamics are investigated in La1-xCaxMnO3. Incorporating a two-component heat diffusion mechanism it is shown that the rate-equation based model captures all essentials of the >1 ps dynamics.Raman spectroscopy is used to investigate the structural phase-diagram of isovalently substituted BiFeO3. The vibrational frequencies as a function of substitution provides unique input into the controversial phonon assignments of BiFeO3 and the pronounced second-order scattering is explained in terms of LO-modes activated by the Fröhlich interaction. Further, the first phonon assignment is presented and the structural transition during dehydration is investigated for BaInO3H.Complementing the studies on perovskites, the electron-phonon interactions are investigated in a iron-pnictide high temperature superconductor by combining Raman spectroscopy and phonon-phonon calculations. Our results point towards weak electron-phonon couplings and supports the view that a non-phononic glue is responsible for the Cooper pair condensation in iron-pnictides.
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| 7. |
- He, Wenxiao, 1985, et al.
(författare)
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Formation of Bone-like Nanocrystalline Apatite Using Self-Assembled Liquid Crystals
- 2012
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Ingår i: Chemistry of Materials. - : American Chemical Society (ACS). - 0897-4756 .- 1520-5002. ; 24:5, s. 892-902
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Tidskriftsartikel (refereegranskat)abstract
- A two-step process using liquid crystalline phases combined with controlled postcrystallization for the preparation of bone-like apatite has been developed. First, amorphous calcium phosphate (ACP) spherules with a diameter of 10.8 +/- 1.4 nm and specific surface area (SSA) in the range of 150-170 m(2)/g were synthesized within a reverse hexagonal liquid crystalline (LC) phase. Second, the ACP spherules were dispersed and aged in Milli-Qwater, where they crystallized into poorly crystalline apatite (PCA). The addition of heparin during aging was explored, which was shown to retard the ACP - PCA conversion. The particle formation within the LC phase was monitored using synchrotron small-angle X-ray scattering, and the formed materials were characterized by X-ray diffraction, conventional and high-resolution transmission electron microscopy, nitrogen adsorption, thermogravimetry with infrared-coupled analysis, and Raman spectroscopy. The PCA formed using the LC aging route presented bone-resembling features, such as,Ca2+ and OH- deficiency, CO32- substitution, poor crystallinity; and ultrahigh SSA of 356 m(2)/g. The resulting particles were compared to hydroxyapatite synthesized via a conventional water-based precipitation method. The LC-aging route exhibited excellent controllability over the CaP crystallization, which enabled facile tailoring of the resulting material properties for different types of application.
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