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Investigation on the interlayer coupling and bonding in layered nitride-halides ThNF and ThNCl
Motivated by recent experimental observation [N. Z. Wang, et al., Inorg. Chem., 2019, 58, 9897], we investigated the electronic properties and chemical bonding in layered nitride-halide compounds ThNF and ThNCl using first-principles calculations to illustrate the interlayer interaction. The energy...
| 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/PMC9038138/ https://www.ncbi.nlm.nih.gov/pubmed/35478555 http://dx.doi.org/10.1039/d1ra05578j |