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The initial steps of Cu2O sulphidation to Cu2S have been studied using plane-wave density functional theory at the PBE-D3+U level of sophistication. Surface adsorption and dissociation of H2S and H2O, as well as the replacement reaction of lattice ox
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::301507d6f50b5c415db98ecc75002f30
Autor:
J H, Stenlid, M, Soldemo, A J, Johansson, C, Leygraf, M, Göthelid, J, Weissenrieder, T, Brinck
Publikováno v:
Physical chemistry chemical physics : PCCP. 18(44)
The water-cuprite interface plays an important role in dictating surface related properties. This not only applies to the oxide, but also to metallic copper, which is covered by an oxide film under typical operational conditions. In order to extend t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::0a97a36fd4da4468f9b2beaf2a852122
https://pubmed.ncbi.nlm.nih.gov/27785495
https://pubmed.ncbi.nlm.nih.gov/27785495
