A comparative study of mechanisms of the adsorption of CO2 confined within graphene–MoS2 nanosheets: a DFT trend study

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A comparative study of mechanisms of the adsorption of CO2 confined within graphene–MoS2 nanosheets: a DFT trend study

The space within the interlayer of 2-dimensional (2D) nanosheets provides new and intriguing confined environments for molecular interactions. However, atomic level understanding of the adsorption mechanism of CO2 confined within the interlayer of 2D nanosheets is still limited. Herein, we present a...

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Bibliographic Details
Main Authors:	Enujekwu, Francis M., Ezeh, Collins I., George, Michael W., Xu, Mengxia, Do, Hainam, Zhang, Yue, Zhao, Haitao, Wu, Tao
Format:	Article
Language:	English
Published:	Royal Society of Chemistry 2019
Subjects:	Adsorption mechanisms; density functional theory (DFT); graphene–MoS2 nanosheets; CO2
Online Access:	https://eprints.nottingham.ac.uk/56276/

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