Addressing electrocatalytic activity and stability of LnBaCo205+δ perovskites for hydrogen evolution reaction by structural and electronic features

被引：50

作者：

Dou, Yingnan ^{[1
]}

Xie, Ying ^{[1
]}

Hao, Xianfeng ^{[2
]}

Xia, Tian ^{[1
]}

Li, Qiang ^{[1
]}

Wang, Jingping ^{[3
]}

Huo, Lihua ^{[1
]}

Zhao, Hui ^{[1
]}

机构：

[1] Heilongjiang Univ, Sch Chem Chem Engn & Mat, Minist Educ, Key Lab Funct Inorgan Mat Chem, Harbin 150080, Peoples R China

[2] Yanshan Univ, Key Lab Appl Chem, Qinhuangdao 066004, Hebei, Peoples R China

[3] Harbin Engn Univ, Coll Mat Sci & Chem Engn, Minist Educ, Key Lab Superlight Mat & Surface Technol, Harbin 150001, Peoples R China

来源：

APPLIED CATALYSIS B-ENVIRONMENTAL | 2021年 / 297卷

关键词：

Hydrogen evolution reaction; LnBaCo(2)0(5+delta) perovskite; Electrocatalytic activity and stability; Tolerance factor; Density-functional theory calculation; X-RAY-PHOTOELECTRON; OXIDE FUEL-CELLS; OXYGEN EVOLUTION; WATER ELECTROLYSIS; CATHODE MATERIAL; EARTH-ABUNDANT; CATALYSIS; EFFICIENT; DESIGN; REDUCTION;

D O I：

10.1016/j.apcatb.2021.120403

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Herein the structural versatility is allowed to correlate with electrocatalytic properties of the perovskites. We report LnBaCo(2)O(5+delta) (Ln = lanthanide) perovskites as highly active electrocatalysts for hydrogen evolution reaction (HER). The tolerance factor (t(f)) and O p/Co d-band centers are proposed to be efficient descriptors for addressing their electrochemical performance. The t(f) endows the HER activity/stability with a volcano shape for our synthesized double/simple perovskites. The O p/Co d-band centers locating far from the Fermi level (E-F) results in the best activity of LnBaCo(2)O(5+delta) among the LnBaCo(2)O(5+delta) perovskites. The outstanding stability can be explained by having the O p/Co d-band centers neither close to nor far from the E-F. The maximum HER activity benefits from optimal free energy combination for the adsorption/dissociation of H2O and desorption of -OH/H*. The proper t(f) values and O p/Co d-band centers may realize synergistic interplay, which is crucial to reasonably design the oxide materials.

引用

页数：12

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