A DFT + U study of H2O adsorption on the V2O5(0 0 1) surface including van der Waals interactions
Sign Up to like & getrecommendations! Published in 2019 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2019.05.060
Abstract: Abstract Water adsorption on the V2O5(0 0 1) surface has been studied using density functional theory including van der Waals interactions (London dispersion interactions). Results reveal that molecular adsorption takes place via the oxygen atom bound to… read more here.
Keywords: van der; adsorption; v2o5 surface; including van ... See more keywords
Long structures of H2O molecules adsorbed on the V2O5(0 0 1) surface. A DFT + U study including van der Waals interactions
Sign Up to like & getrecommendations! Published in 2020 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2020.137408
Abstract: Abstract Long structures of H2O molecules adsorbed along the valleys of the V2O5(0 0 1) surface have been identified and studied, using density functional theory including van der Waals interactions. Present research reveals that adsorption of H2O… read more here.
Keywords: v2o5 surface; surface; structures h2o; long structures ... See more keywords