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Role of van der Waals bonding in the layered oxide V 2O 5: First-principles density-functional calculations Elisa Londero1,2 and Elsebeth Schröder1,* 1Microtechnology and Nanoscience, MC2, Chalmers University of Technology, SE-412 96 Göteborg, Sweden 2Applied Physics, Chalmers University of Technology, SE-412 96 Göteborg, Sweden Received 5 June 2010; published 23 August 2010
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A recent study of temperature-programmed desorption (TPD) measurements of small linear alkane molecules (n-alkanes, with formula C(N)H(2N+2)) from C(0001) deposited on Pt(111) shows a linear relationship of the desorption energy with increasing n-alkane chain length N. We here present a van der Waal.
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Elisa Londero 1, Gergő Thiering 1,2, Lukas Razinkovas 3, Adam Gali 1,2,*, and Audrius Alkauskas 3,4,†. 1 Institute for Solid State Physics and Optics, Wigner Research Center for Physics, Hungarian Academy of Sciences, P.O. Box 49, Budapest H-1525, Hungary; 2 Department of Atomic Physics, Budapest University of Technology and Economics, Budafoki út 8, Budapest H-1111, Hungary
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Doctoral thesis 2012 Desorption of n-alkanes from graphene: a van der Waals density functional study Elisa Londero, Emma Karlson, Marcus Landahl et al Journal of Physics Condensed Matter. Vol. 24 (42), p. 424212- Journal article 2011 Vanadium pentoxide (V2O5): a van der Waals density functional study Elisa Londero, Elsebeth Schröder
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Elisa Londero, Elsebeth Schröder. Computer Physics Communications. Vol. 182 (9), p. 1805-1809 . Journal article 2010. Role of van der Waals bonding in the layered oxide V2O5: First-principles density-functional calculations. Elisa Londero, Elsebeth Schröder. Physical Review B - Condensed Matter and Materials Physics..
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Sparse matter is characterized by regions with low electron density and its understanding calls for methods to accurately calculate both the van der Waals (vdW) interactions and other bonding. Here we present a first-principles density-functional theory (DFT) study of a layered oxide $({\text{V}}_{2}{\text{O}}_{5})$ bulk structure which shows charge voids in between the layers and we highlight.
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G. Thiering, E. Londero and A. Gali, Nanoscale, 2014, 6, 12018 DOI: 10.1039/C4NR03112A This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence . You can use material from this article in other publications, without requesting further permission from the RSC, provided that the correct acknowledgement is given and it is not used for commercial purposes.
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