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Enhanced photocatalytic activity of phosphorene under different pH values using density functional theory (DFT)
Phosphorene, a new two-dimensional material, was investigated theoretically as a promising photocatalyst material. The structural and electronic properties of phosphorene were studied using hybrid functional based HSE approximation. The effect of the adsorbed molecules on the phosphorene surface was...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9030538/ https://www.ncbi.nlm.nih.gov/pubmed/35481157 http://dx.doi.org/10.1039/d0ra10246f |