Optimizing PtFe intermetallics for oxygen reduction reaction: from DFT screening to in situ XAFS characterization

被引：41

作者：

Gong, Mingxing ^{[1
]}

Zhu, Jing ^{[1
]}

Liu, Mingjie ^{[2
]}

Liu, Peifang ^{[3
]}

Deng, Zhiping ^{[1
]}

Shen, Tao ^{[1
]}

Zhao, Tonghui ^{[1
]}

Lin, Ruoqian ^{[2
]}

Lu, Yun ^{[1
]}

Yang, Shize ^{[2
]}

Liang, Zhixiu ^{[4
]}

Bak, Seong Min ^{[4
]}

Stavitski, Eli ^{[5
]}

Wu, Qin ^{[2
]}

Adzic, Radoslav R. ^{[4
]}

Xin, Huolin L. ^{[2
,6
]}

Wang, Deli ^{[1
]}

机构：

[1] Huazhong Univ Sci & Technol, Key Lab Mat Chem Energy Convers & Storage, Hubei Key Lab Mat Chem & Serv Failure, Minist Educ,Sch Chem & Chem Engn, Wuhan 430074, Hubei, Peoples R China

[2] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA

[3] Xinyang Normal Univ, Anal & Testing Ctr, Xinyang 464000, Peoples R China

[4] Brookhaven Natl Lab, Chem Div, Upton, NY 11973 USA

[5] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA

[6] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA

来源：

NANOSCALE | 2019年 / 11卷 / 42期

关键词：

FEPT NANOPARTICLES; CATALYSIS; ELECTROCATALYSTS; PERFORMANCE; SKIN;

D O I：

10.1039/c9nr04975d

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Rational designing of catalysts to promote the sluggish kinetics of the cathode oxygen reduction reaction in proton exchange membrane fuel cells is still challenging, yet of crucial importance to its commercial application. In this work, on the basis of theoretical DFT calculations which suggest that order structured fct-phased PtFe (O-PtFe) with an atomic Pt shell exhibits superior electrocatalytic performance towards the ORR, the desired structure was prepared by using a scalable impregnation-reduction method. The as-prepared O-PtFe delivered enhanced activity (0.68 A mg(Pt)(-1)) and stability (73% activity retention after 10000 potential cycles) compared with the corresponding disordered PtFe alloy (D-PtFe) and Pt. To confirm the excellent durability, in situ X-ray absorption fine structure spectroscopy was conducted to probe the local and electronic structure changes of O-PtFe during 10000 cycle accelerated durability testing. We hope that this facile synthesis method and the in situ XAFS experiment could be readily adapted to other catalyst systems, facilitating the screening of highly efficient ORR catalysts for fuel cell application.

引用

页码：20301 / 20306

页数：6

共 37 条

[1] PROJECTOR AUGMENTED-WAVE METHOD [J].