Acid-stable and highly active catalysts for the electrocatalytic oxygen evolution reaction(OER)are paramount to the advancement of electrochemical technologies for clean energy conversion and utilization.In this work,...Acid-stable and highly active catalysts for the electrocatalytic oxygen evolution reaction(OER)are paramount to the advancement of electrochemical technologies for clean energy conversion and utilization.In this work,based on the density functional theory(DFT)calculations,we systematically investigated the MSb_(2)O_(6)(M=Fe,Co,and Ni)and transition metal(TM)doped MSb_(2)O_(6)(TM-MSb_(2)O_(6),TM=Mn,Fe,Co,Ni,Cu,Zn,Ru,Rh,Pd,Ir,and Pt)as potential antimonate-based electrocatalysts for the OER.The stability and OER activity of these considered electrocatalysts were systematically studied under acidic conditions.It was found that Rh-NiSb_(2)O_(6),Pt-CoSb_(2)O_(6),Rh-FeSbO4,and Co-NiSb_(2)O_(6)can serve as efficient and stable OER electrocatalysts,and their OER catalytic activities are better than that of the current state-of-the-art OER catalyst(IrO2).Our findings highlight a family of promising antimonate-based OER electrocatalysts for future experimental verification.展开更多
基金supported by China Ministry of Science and Technology(No.2021YFA1600800)China Postdoctoral Science Foundation funded project(Nos.2021TQ0216 and 2021M702279)+2 种基金Anhui Provincial Natural Science Foundation(No.2108085UD06)the“Transformational Technologies for Clean Energy and Demonstration”,Strategic Priority Research Program of the Chinese Academy of Sciences(No.XDA 21000000)the Fundamental Research Funds for the Central Universities(No.WK2060000021).
文摘Acid-stable and highly active catalysts for the electrocatalytic oxygen evolution reaction(OER)are paramount to the advancement of electrochemical technologies for clean energy conversion and utilization.In this work,based on the density functional theory(DFT)calculations,we systematically investigated the MSb_(2)O_(6)(M=Fe,Co,and Ni)and transition metal(TM)doped MSb_(2)O_(6)(TM-MSb_(2)O_(6),TM=Mn,Fe,Co,Ni,Cu,Zn,Ru,Rh,Pd,Ir,and Pt)as potential antimonate-based electrocatalysts for the OER.The stability and OER activity of these considered electrocatalysts were systematically studied under acidic conditions.It was found that Rh-NiSb_(2)O_(6),Pt-CoSb_(2)O_(6),Rh-FeSbO4,and Co-NiSb_(2)O_(6)can serve as efficient and stable OER electrocatalysts,and their OER catalytic activities are better than that of the current state-of-the-art OER catalyst(IrO2).Our findings highlight a family of promising antimonate-based OER electrocatalysts for future experimental verification.
