Single-Layer Oxygen Deficiency δ-MnO₂ for Electrochemical CO₂ Reduction

Authors

Yue-feng ZHANG, School of Physics and Electronics, Hunan University, Changsha 410082, China;
Jian-jun LIU, School of Physics and Electronics, Hunan University, Changsha 410082, China;
Zeng-xi WEI, School of Physics and Electronics, Hunan University, Changsha 410082, China;
Xin-xin TIAN, Institute of Molecular Science, Key Laboratory of Materials for Energy Conversion and Storage of Shanxi Province, Shanxi University, Taiyuan 030006, China;
Jian-min MA, Material Data Centre, Changsha Xiuxi Technology Co. Ltd., Changsha 410082, China)Follow

Corresponding Author

Jian-min MA(nanoelechem@hnu.edu.cn)

Abstract

Manganese dioxide (MnO₂) has been widely used in catalysis. In addition, since the defect engineering can change the electronic properties of the catalyst, here we have systematically studied electrocatalytic carbon dioxide reduction reaction (CO₂RR) on δ-MnO₂ with and without oxygen deficiency, denoted as Ov-MnO₂ and MnO₂, respectively. We calculate the electronic properties and the intermediate of free energy for MnO₂ and Ov-MnO₂ with the help of spin-polarized density functional theory. By analyzing this result, we can find that the introduction of defects change the δ-MnO₂ from semiconducting properties to semi-metallic properties, leading to the improved conductivity. At the same time, the selectivity of the product has also been changed. MnO₂ and Ov-MnO₂ are more conducive to the productions of formic acid (HCOOH) and carbon monoxide (CO), respectively. Strikingly, this study will provide guidance in the structural design and optimization of other non-noble metal oxides catalysts for CO₂RR.

Graphical Abstract

Keywords

CO2 reduction reaction, δ-MnO2, oxygen defects, first principles

DOI Link

https://doi.org/10.13208/j.electrochem.180945

Publication Date

2019-08-28

Online Available Date

2019-08-28

Revised Date

2019-01-04

Received Date

2018-10-18

Recommended Citation

Yue-feng ZHANG, Jian-jun LIU, Zeng-xi WEI, Xin-xin TIAN, Jian-min MA. Single-Layer Oxygen Deficiency δ-MnO₂ for Electrochemical CO₂ Reduction[J]. Journal of Electrochemistry, 2019 , 25(4): 180945.
DOI: 10.13208/j.electrochem.180945
Available at: https://jelectrochem.xmu.edu.cn/journal/vol25/iss4/7