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Water/InP(001) from Density Functional Theory
[Image: see text] The interface between water and the In-rich InP(001) surface is studied by density functional theory with water coverage ranging from single molecules to multiple overlayers. Single molecules attach preferably to three-fold coordinated surface In atoms. Water dissociation is energe...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9202284/ https://www.ncbi.nlm.nih.gov/pubmed/35722024 http://dx.doi.org/10.1021/acsomega.2c00948 |