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From half-metallic to magnetic semiconducting triazine g-C(4)N(3): computational designs and insight
We have given, for the first time, physicochemical insight into the electronic structure routes from half-metallic to magnetic semiconducting triazine g-C(4)N(3). To this end, three material designs have been proposed using density functional calculations. In one design, this half-metal is first mad...
| 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/PMC9044481/ https://www.ncbi.nlm.nih.gov/pubmed/35492469 http://dx.doi.org/10.1039/d1ra05348e |