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Single-Layer Oxygen Deficiency Δ-Mno2 For Electrochemical Co2 Reduction, 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, Yue-Feng Zhang, Jian-Jun Liu, Zeng-Xi Wei, Xin-Xin Tian, Jian-Min Ma
Journal of Electrochemistry
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 …