Adsorption of CO2 on Bi2MoO6 (010) surface: A density functional theory study
Authors
Yanhua Peng, Fenghui Tian, Yan Zhang, Jianqiang Yu
Corresponding Author
Yanhua Peng
Available Online December 2015.
- DOI
- 10.2991/icmse-15.2015.133How to use a DOI?
- Keywords
- CO2; Adsorption; Bismuth molybdate (010) surface; Density functional theory
- Abstract
The adsorption of CO2 on Bi-end and MoO-end Bi2MoO6 (010) surfaces has been investigated by density functional theory (DFT) calculations. The results indicate that CO2 exhibits physical absorption on both of the two surfaces, and Bi-end surface is more slightly active than MoO-end surface. Our results confirm that Bi2MoO6 has the potential for CO2 decrease from the atmosphere and further conversion.
- Copyright
- © 2015, the Authors. Published by Atlantis Press.
- Open Access
- This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).
Cite this article
TY - CONF AU - Yanhua Peng AU - Fenghui Tian AU - Yan Zhang AU - Jianqiang Yu PY - 2015/12 DA - 2015/12 TI - Adsorption of CO2 on Bi2MoO6 (010) surface: A density functional theory study BT - Proceedings of the 2015 6th International Conference on Manufacturing Science and Engineering PB - Atlantis Press SP - 743 EP - 747 SN - 2352-5401 UR - https://doi.org/10.2991/icmse-15.2015.133 DO - 10.2991/icmse-15.2015.133 ID - Peng2015/12 ER -