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Effect of metal decoration on sulfur-based gas molecules adsorption on phosphorene

Based on first-principles calculation, the adsorption of sulfur-based gas molecules (H(2)S, SO(2), SO(3)) on various metal-decorated phosphorenes is researched systematically. Eleven metals (Li, Na, K, Rb, Cs, Ca, Sr, Ba, Ni, La, Tl) which can avoid the formation of clusters on the phosphorene are c...

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Detalles Bibliográficos
Autores principales: Wang, Yonghu, Lei, Shuangying, Gao, Ran, Sun, Xiaolong, Chen, Jie
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8438081/
https://www.ncbi.nlm.nih.gov/pubmed/34518596
http://dx.doi.org/10.1038/s41598-021-97626-4