Theoretical Investigation of Mo Doped α-MnO2 Electrocatalytic Oxygen Evolution Reaction

Peng WANG; Zunlong JIN; Ningguang CHEN; Yonghao LIU

doi:10.15541/jim20210280

Journals >Journal of Inorganic Materials >Volume 37 >Issue 5 >Page 541 > Article

Journal of Inorganic Materials
Vol. 37, Issue 5, 541 (2022)

Theoretical Investigation of Mo Doped α-MnO₂ Electrocatalytic Oxygen Evolution Reaction

Peng WANG, Zunlong JIN^*, Ningguang CHEN, and Yonghao LIU

Author Affiliations

School of Mechanical and Power Engineering, Zhengzhou University, Zhengzhou 450001, China

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DOI: 10.15541/jim20210280 Cite this Article

Peng WANG, Zunlong JIN, Ningguang CHEN, Yonghao LIU. Theoretical Investigation of Mo Doped α-MnO₂ Electrocatalytic Oxygen Evolution Reaction[J]. Journal of Inorganic Materials, 2022, 37(5): 541 Copy Citation Text

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Top view of optimized structures for (a) α-MnO2(001) and (b)Mo doped α-MnO2(001)

1. Top view of optimized structures for (a) α-MnO₂(001) and (b)Mo doped α-MnO₂(001)

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OER free energy diagrams of α-MnO2 and Mo doped α-MnO2

2. OER free energy diagrams of α-MnO₂ and Mo doped α-MnO₂

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3. DOS of α-MnO₂ adsorbing different intermediates

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4. DOS of Mo-doped α-MnO₂adsorbing different intermediates

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5. Charge density difference of

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Peng WANG, Zunlong JIN, Ningguang CHEN, Yonghao LIU. Theoretical Investigation of Mo Doped α-MnO₂ Electrocatalytic Oxygen Evolution Reaction[J]. Journal of Inorganic Materials, 2022, 37(5): 541

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