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Revealing the different performance of Li(4)SiO(4) and Ca(2)SiO(4) for CO(2) adsorption by density functional theory

To reveal the difference between Li(4)SiO(4) and Ca(2)SiO(4) in CO(2) adsorption performance, the CO(2) adsorption on Li(4)SiO(4) (010) and Ca(2)SiO(4) (100) surfaces was investigated using density functional theory (DFT) calculations. The results indicate that the bent configuration of the adsorbed...

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Detalles Bibliográficos
Autores principales:	Yu, Wenjing, Xu, Qian, Li, Shenggang, Xiong, Xiaolu, Cheng, Hongwei, Zou, Xingli, Lu, Xionggang
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8996757/ https://www.ncbi.nlm.nih.gov/pubmed/35425068 http://dx.doi.org/10.1039/d2ra01021f

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