Atomic scandium and nitrogen-codoped graphene for oxygen reduction reaction

被引:44
作者
Wen, Xudong [1 ]
Duan, Zhiyao [2 ,3 ]
Bai, Lu [1 ]
Guan, Jingqi [1 ]
机构
[1] Jilin Univ, Coll Chem, Key Lab Surface & Interface Chem Jilin Prov, Changchun 130012, Jilin, Peoples R China
[2] Univ Texas Austin, Dept Chem, Austin, TX 78712 USA
[3] Univ Texas Austin, Inst Computat & Engn Sci, Austin, TX 78712 USA
关键词
Density functional theory; Nitrogen-doped graphene; Oxygen reduction reaction; Scandium; Single-atom catalysis; HIGH-PERFORMANCE; RATIONAL DESIGN; WATER OXIDATION; CATALYTIC SITES; DOPED GRAPHENE; ACTIVE-SITES; OXIDE; ELECTROCATALYSTS; STABILITY;
D O I
10.1016/j.jpowsour.2019.126650
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
Rational design of highly active and durable electrocatalysts for oxygen reduction reaction is critical to substitute precious metal platinum for fuel cells. Herein, a novel non-precious atomic scandium embedded into nitrogen-doped graphene material is successfully synthesized via a facile annealing method. The catalyst exhibits superior oxygen reduction reaction performance in both 0.1 M KOH and 0.5 M H2SO4, with onset potential (E-onset, 0.99 vs 0.82 V) and half-wave potential (E-1/2, 0.89 vs 0.72 V). Theoretical calculations reveal that the possible active sites for ORR might be ScN(3)O( )and ScN2O embedded into the N-doped graphene. The outstanding electrochemical stability and strong tolerance to methanol crossover on the atomic scandium and nitrogen-codoped graphene make it a promising application in metal-air batteries and fuel cells.
引用
收藏
页码:265 / 273
页数:9
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