DFT modelling of ethanol on BaTiO 3 (0 0 1) surface

Published 2018 View Full Article

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Title
DFT modelling of ethanol on BaTiO 3 (0 0 1) surface
Authors
Keywords
BaTiO, 3, (0 0 1), Ethanol, DFT + , U, vdW, Density of states, Electron localization function
Journal
APPLIED SURFACE SCIENCE
Volume 456, Issue -, Pages 276-289
Publisher
Elsevier BV
Online
2018-06-19
DOI
10.1016/j.apsusc.2018.06.122

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