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Controlling the electronic and optical properties of HfS(2) mono-layers via lanthanide substitutional doping: a DFT+U study
Two dimensional HfS(2) is a material with potential applications in the field of photo-catalysis and advanced solid state devices. Density functional theory with the Hubbard U parameter (DFT+U) calculations were carried out to investigate the structural, electronic and optical properties of lanthani...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9052390/ https://www.ncbi.nlm.nih.gov/pubmed/35493683 http://dx.doi.org/10.1039/d0ra02464c |