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Anharmonic effects on the dynamics of solid aluminium from ab initio simulations
Adams, D. J., Wang, L., Steinle-Neumann, G., Passerone, D., & Churakov, S. V. (2021). Anharmonic effects on the dynamics of solid aluminium from ab initio simulations. Journal of Physics: Condensed Matter, 33(17), 175501 (8 pp.). https://doi.org/10.1088/1361-648X/abc972
Study on crystallographic and electronic structure of micrometre-scale ZnO and ZnO:B rods via X-ray absorption fine-structure spectroscopy
Erat, S., Ozkendir, O. M., Yildirimcan, S., Gunaydin, S., Harfouche, M., Demir, B., & Braun, A. (2021). Study on crystallographic and electronic structure of micrometre-scale ZnO and ZnO:B rods via X-ray absorption fine-structure spectroscopy. Journal of Synchrotron Radiation, 28, 448-454. https://doi.org/10.1107/S1600577520015866
Graphene nanoribbons with mixed cove-cape-zigzag edge structure
Shinde, P. P., Liu, J., Dienel, T., Gröning, O., Dumslaff, T., Mühlinghaus, M., … Passerone, D. (2021). Graphene nanoribbons with mixed cove-cape-zigzag edge structure. Carbon, 175, 50-59. https://doi.org/10.1016/j.carbon.2020.12.069
Massive dirac fermion behavior in a low bandgap graphene nanoribbon near a topological phase boundary
Sun, Q., Gröning, O., Overbeck, J., Braun, O., Perrin, M. L., Borin Barin, G., … Ruffieux, P. (2020). Massive dirac fermion behavior in a low bandgap graphene nanoribbon near a topological phase boundary. Advanced Materials, 32(12), 1906054 (8 pp.). https://doi.org/10.1002/adma.201906054
k-resolved electronic structure of buried heterostructure and impurity systems by soft-X-ray ARPES
Strocov, V. N., Lev, L. L., Kobayashi, M., Cancellieri, C., Husanu, M. A., Chikina, A., … Salman, Z. (2019). k-resolved electronic structure of buried heterostructure and impurity systems by soft-X-ray ARPES. Journal of Electron Spectroscopy and Related Phenomena, 236, 1-8. https://doi.org/10.1016/j.elspec.2019.06.009
X-ray absorption spectroscopy probing hydrogen in metals
Sambalova, O., Arbelo Pena, Y., Delmelle, R., Cirelli, C., Patterson, B., Barbato, F., … Borgschulte, A. (2017). X-ray absorption spectroscopy probing hydrogen in metals. In A. Klisnick & C. S. Menoni (Eds.), Proceedings of SPIE: Vol. 10243. X-ray lasers and coherent X-ray sources: development and applications (p. 102430P (8 pp.). https://doi.org/10.1117/12.2264972
Recent developments in the ABINIT software package
Gonze, X., Jollet, F., Abreu Araujo, F., Adams, D., Amadon, B., Applencourt, T., … Zwanziger, J. W. (2016). Recent developments in the ABINIT software package. Computer Physics Communications, 205, 106-131. https://doi.org/10.1016/j.cpc.2016.04.003
Crystal and electronic structure of Y<SUB>5</SUB>Al<SUB>3</SUB>C<SUB>4</SUB>
Kotyrba, M. R., Cuervo-Reyes, E., & Nesper, R. (2015). Crystal and electronic structure of Y5Al3C4. Zeitschrift für Anorganische und Allgemeine Chemie, 641(8-9), 1521-1526. https://doi.org/10.1002/zaac.201500119
YAlC: a bonding chameleon with heteropolyacetylene features
Kotyrba, M. R., Cuervo-Reyes, E., & Nesper, R. (2015). YAlC: a bonding chameleon with heteropolyacetylene features. Angewandte Chemie International Edition, 54(33), 9606-9609. https://doi.org/10.1002/anie.201501356
Electronic origin of difference in discharge curve between Li<SUB>x</SUB>CoO<SUB>2</SUB> and Na<SUB>x</SUB>CoO<SUB>2</SUB> cathodes
Molenda, J., Baster, D., Milewska, A., Świerczek, K., Bora, D. K., Braun, A., & Tobola, J. (2015). Electronic origin of difference in discharge curve between LixCoO2 and NaxCoO2 cathodes. Solid State Ionics, 271, 15-27. https://doi.org/10.1016/j.ssi.2014.09.032
The nature of the nonmetal–metal transition in LixCoO2 oxide
Milewska, A., Świerczek, K., Tobola, J., Boudoire, F., Hu, Y., Bora, D. K., … Molenda, J. (2014). The nature of the nonmetal–metal transition in LixCoO2 oxide. Solid State Ionics, 263, 110-118. https://doi.org/10.1016/j.ssi.2014.05.011
Determination of conduction and valence band electronic structure of anatase and rutile TiO<SUB>2</SUB>
Szlachetko, J., Michalow-Mauke, K., Nachtegaal, M., & Sá, J. (2014). Determination of conduction and valence band electronic structure of anatase and rutile TiO2. Journal of Chemical Sciences, 126(2), 511-515. https://doi.org/10.1007/s12039-014-0584-1
Effect of the titania substitution on the electronic structure and transport properties of FSS-made Fe2O3 nanoparticles for hydrogen sensing
Flak, D., Braun, A., Vollmer, A., & Rekas, M. (2013). Effect of the titania substitution on the electronic structure and transport properties of FSS-made Fe2O3 nanoparticles for hydrogen sensing. Sensors and Actuators B: Chemical, 187, 347-355. https://doi.org/10.1016/j.snb.2012.12.038
Electronic structure and surface properties of non-stoichiometric Fe<sub>2</sub>O<sub>3-δ</sub> (α and γ) and its application in gas sensing
Flak, D., Braun, A., Mun, B. S., Döbeli, M., Graule, T., & Rekas, M. (2012). Electronic structure and surface properties of non-stoichiometric Fe2O3-δ (α and γ) and its application in gas sensing. In Procedia engineering: Vol. 47. 26th European conference on solid-state transducers, EUROSENSOR 2012 (pp. 257-260). https://doi.org/10.1016/j.proeng.2012.09.132
Electronic structure of atomically precise graphene nanoribbons
Ruffieux, P., Cai, J., Plumb, N. C., Patthey, L., Prezzi, D., Ferretti, A., … Fasel, R. (2012). Electronic structure of atomically precise graphene nanoribbons. ACS Nano, 6(8), 6930-6935. https://doi.org/10.1021/nn3021376
Anomalous transport properties of the half-metallic ferromagnets Co<SUB>2</SUB>TiSi, Co<SUB>2</SUB>TiGe and Co<SUB>2</SUB>TiSn
Barth, J., Fecher, G. H., Balke, B., Graf, T., Shkabko, A., Weidenkaff, A., … Felser, C. (2011). Anomalous transport properties of the half-metallic ferromagnets Co2TiSi, Co2TiGe and Co2TiSn. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 369(1951), 3588-3601. https://doi.org/10.1098/rsta.2011.0183
Hydrogen-bonding fingerprints in electronic states of two-Dimensional supramolecular assemblies
Gonzalez-Lakunza, N., Cañas-Ventura, M. E., Ruffieux, P., Rieger, R., Müllen, K., Fasel, R., & Arnau, A. (2009). Hydrogen-bonding fingerprints in electronic states of two-Dimensional supramolecular assemblies. ChemPhysChem, 10(17), 2943-2946. https://doi.org/10.1002/cphc.200900722
Impact of Al and Cr alloying in TiN-based PVD coatings on cutting performance during machining of hard to cut materials
Kovalev, A. I., Wainstein, D. L., Rashkovskiy, A. Y., Fox-Rabinovich, G. S., Yamamoto, K., Veldhuis, S., … Beake, B. D. (2009). Impact of Al and Cr alloying in TiN-based PVD coatings on cutting performance during machining of hard to cut materials. Vacuum, 84(1), 184-187. https://doi.org/10.1016/j.vacuum.2009.06.019
Synthesis, characterization and electronic structure of nitrogen-doped TiO<SUB>2</SUB> nanopowder
Michalow, K. A., Logvinovich, D., Weidenkaff, A., Amberg, M., Fortunato, G., Heel, A., … Rekas, M. (2009). Synthesis, characterization and electronic structure of nitrogen-doped TiO2 nanopowder. Catalysis Today, 144(1-2), 7-12. https://doi.org/10.1016/j.cattod.2008.12.015