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

Abstract Based on first-principles calculation, the adsorption of sulfur-based gas molecules (H2S, SO2, SO3) 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 ar...

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Autores principales: Yonghu Wang, Shuangying Lei, Ran Gao, Xiaolong Sun, Jie Chen
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/b3db5a2227024b34b2b99583a6d92fd5
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