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CO Adsorption on Metal-Decorated Phosphorene

[Image: see text] Using first principle calculations, we have investigated the adsorption of CO gas on various metal-decorated phosphorene. Almost all of the metals were considered to decorate phosphorene. By comparing binding energy (E(b)) and cohesive energy (E(c)), only 10 metals (Li, Na, K, Rb,...

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Detalhes bibliográficos
Publicado no:ACS Omega
Main Authors: Lei, Shuang Ying, Yu, Zhi Yuan, Shen, Hai Yun, Sun, Xiao Long, Wan, Neng, Yu, Hong
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2018
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6641591/
https://ncbi.nlm.nih.gov/pubmed/31458633
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.8b00133
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