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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...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2022
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Materias: | |
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 |