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Adsorption mechanism of CO2 on the single atom doped or promoted Li4SiO4(010) surface from first principles

Chen Zhang,Jingfeng Zhang,Yunsong Yu,Zaoxiao Zhang,Geoff G. X. Wang

COMPUTATIONAL AND THEORETICAL CHEMISTRY（2021）

Cited 4|Views6
Key words
Li4SiO4(010),Carbon dioxide,Surface adsorption,Density functional theory,Dopants,Promoters
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