Electronic Properties of Triangle Molybdenum Disulfide (MoS(2)) Clusters with Different Sizes and Edges

The electronic structures and transition properties of three types of triangle MoS(2) clusters, A (Mo edge passivated with two S atoms), B (Mo edge passivated with one S atom), and C (S edge) have been explored using quantum chemistry methods. The highest occupied molecular orbital (HOMO)–lowest uno...

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Detalles Bibliográficos
Autores principales: Wang, Songsong, Han, Changliang, Ye, Liuqi, Zhang, Guiling, Hu, Yangyang, Li, Weiqi, Jiang, Yongyuan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7927058/
https://www.ncbi.nlm.nih.gov/pubmed/33671512
http://dx.doi.org/10.3390/molecules26041157

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7927058/
https://www.ncbi.nlm.nih.gov/pubmed/33671512
http://dx.doi.org/10.3390/molecules26041157

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