Gaining insight into the impact of electronic property and interface electrostatic field on ORR kinetics in alloy engineering via theoretical prognostication and experimental validation

Liu，Haijun1,2,3; Sun，Fengman1,2,3; Yang，Lin2,3,4; Chen，Ming2,3; Wang，Haijiang2,3

2023-12-15

10.1016/j.jcis.2023.08.125

Journal of Colloid and Interface Science   Impact Factor & Quartile

0021-9797

1095-7103

Alloy engineering has been utilized as a potent strategy to modulate the oxygen reduction reaction （ORR） activity. However, the regulatory mechanism underpinning the ORR kinetics by means of alloy engineering is still shrouded in ambiguity. This work places emphasis on the kinetics of the ORR concerning PtM (M = Cr, Co, Cu, Pd, Sn, and Ir) catalysts, and integrates theoretical prognostication and experimental validation to illuminate the fundamental principles of alloy engineering. The ORR kinetic activity, as prognosticated by theory, shows significant agreement with experimental results, provided that the rate-determining step (RDS) accounts for a dominant role in the potential-independent kinetic mechanism. In essence, alloy engineering manipulates electronic properties through electron transfer to modulate intermediate adsorption and adjusts the interface electric field (E) to regulate hydrogen atom transport, ultimately influencing kinetics. The E holds greater significance in ORR kinetics compared to the intermediate adsorption (E), the corresponding degrees of correlation with free energy barriers (E) of RDS are −0.89, and 0.75, respectively. This work highlights the nature of alloy engineering for ORR kinetics modulation and assists in the design of efficient catalysts.

Alloy engineering Electrochemical double layer Interface electrostatic field Oxygen reduction reaction kinetics

SCI

English

Corresponding

Guangdong Innovative and Entrepre-neurial Research Team Program[2016ZT06N500] ; Guangdong Provin-cial Key Laboratory of Energy Materials for Electric Power[2018B030322001]

Chemistry

Chemistry, Physical

WOS:001069310300001

ACADEMIC PRESS INC ELSEVIER SCIENCE

CHEMISTRY

2-s2.0-85169599406

Scopus

1.Harbin Institute of Technology,Harbin,150001,China
2.Department of Mechanical and Energy Engineering,Southern University of Science and Technology,Shenzhen,518055,China
3.Key Laboratory of Energy Conversion and Storage Technologies (Southern University of Science and Technology),Ministry of Education,Shenzhen,518055,China
4.School of Chemistry and Chemical Engineering,Henan Normal University,Xinxiang,453007,China

Liu，Haijun,Sun，Fengman,Yang，Lin,et al. Gaining insight into the impact of electronic property and interface electrostatic field on ORR kinetics in alloy engineering via theoretical prognostication and experimental validation[J]. Journal of Colloid and Interface Science,2023,652:890-900.

Liu，Haijun,Sun，Fengman,Yang，Lin,Chen，Ming,&Wang，Haijiang.(2023).Gaining insight into the impact of electronic property and interface electrostatic field on ORR kinetics in alloy engineering via theoretical prognostication and experimental validation.Journal of Colloid and Interface Science,652,890-900.

Liu，Haijun,et al."Gaining insight into the impact of electronic property and interface electrostatic field on ORR kinetics in alloy engineering via theoretical prognostication and experimental validation".Journal of Colloid and Interface Science 652(2023):890-900.