Adsorption of CO2 on Bi2MoO6 (010) surface: A density functional theory study

被引：0

作者：

Peng, Yanhua ^{[1
]}

Tian, Fenghui ^{[1
]}

Zhang, Yan ^{[1
]}

Yu, Jianqiang ^{[1
,2
]}

机构：

[1] Qingdao Univ, Fac Chem Sci & Engn, Collaborat Innovat Ctr Marine Biomass Fibers Mat, Qingdao 266071, Peoples R China

[2] Chinese Acad Sci, Lanzhou Inst Chem Phys, Lab Clean Energy Chem & Mat, 18 Tianshui Middle Rd, Lanzhou 730000, Peoples R China

来源：

PROCEEDINGS OF THE 2015 6TH INTERNATIONAL CONFERENCE ON MANUFACTURING SCIENCE AND ENGINEERING | 2016年 / 32卷

关键词：

CO2; Adsorption; Bismuth molybdate (010) surface; Density functional theory; VISIBLE-LIGHT IRRADIATION; PHOTOCATALYST; MOLECULES; WATER;

D O I：

暂无

中图分类号：

TP [自动化技术、计算机技术];

学科分类号：

0812 ;

摘要：

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.

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页码：743 / 747

页数：5

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