TY - JOUR
T1 - N-doped LaPO4
T2 - An effective Pt-free catalyst for electrocatalytic oxygen reduction
AU - Zhao, Ruopeng
AU - Chen, Ziheng
AU - Li, Qinghua
AU - Wang, Xuan
AU - Tang, Yawen
AU - Fu, Gengtao
AU - Li, Hao
AU - Lee, Jong Min
AU - Huang, Shaoming
N1 - Funding Information:
This work was financially supported by the National Natural Science Foundation of China ( 51920105004 , 22109073 ), the Natural Science Foundation of Jiangsu Province ( BK20221321 ), the Jiangsu Specially Appointed Professor Plan, the Science and Technology Innovation Project for Overseas Researchers in Nanjing, and the talent launching project of Eye Hospital at Wenzhou Medical University ( KYQD20211205 ). The authors are grateful for support from the National and Local Joint Engineering Research Center of Biomedical Functional Materials and a project sponsored by the Priority Academic Program Development of Jiangsu Higher Education Institutions . We also thank Beijng PARATERA Tech Co., Ltd., for providing HPC resources that have contributed to the research results reported within this paper, and the Faculty of Materials Science and Chemistry, China University of Geosciences (CUG), for its TEM facilities and the data analysis of Mingxing Gong. H.L. acknowledges the Center for Computational Materials Science, Institute for Materials Research , Tohoku University for the use of MASAMUNE-IMR (Project No. 202208-SCKXX-0211) and the Institute for Solid State Physics (ISSP) at the University of Tokyo for the use of their supercomputers.
Publisher Copyright:
© 2022 Elsevier Inc.
PY - 2022/12/15
Y1 - 2022/12/15
N2 - This work provides a novel rare-earth-based catalyst of N-regulated lanthanum phosphate (N-LaPO4/C) and the corresponding rational measurement of catalytic activity for the oxygen reduction reaction (ORR). Developed N-LaPO4/C displays more positive half-wave potential (0.88 V) and onset potential (1.02 V) for the ORR, surpassing commercial Pt/C (0.96 and 0.85 V) and most reported research works. The robust stability of N-LaPO4/C for the ORR is also demonstrated. Comprehensive analyses through X-ray absorption spectroscopy, surface Pourbaix diagram, microkinetic modeling, and data mining based on an advanced explainable machine learning demonstrate a self-oxidation process on LaPO4 during the alkaline ORR and identify the key role of N in LaPO4 in promoting ORR. N-doped LaPO4 in N-LaPO4/C is found to be an active center. Further findings show that N-LaPO4/C + RuO2 can be applied in rechargeable Zn-air batteries as an air cathode, showing a good power density and a long cycle life.
AB - This work provides a novel rare-earth-based catalyst of N-regulated lanthanum phosphate (N-LaPO4/C) and the corresponding rational measurement of catalytic activity for the oxygen reduction reaction (ORR). Developed N-LaPO4/C displays more positive half-wave potential (0.88 V) and onset potential (1.02 V) for the ORR, surpassing commercial Pt/C (0.96 and 0.85 V) and most reported research works. The robust stability of N-LaPO4/C for the ORR is also demonstrated. Comprehensive analyses through X-ray absorption spectroscopy, surface Pourbaix diagram, microkinetic modeling, and data mining based on an advanced explainable machine learning demonstrate a self-oxidation process on LaPO4 during the alkaline ORR and identify the key role of N in LaPO4 in promoting ORR. N-doped LaPO4 in N-LaPO4/C is found to be an active center. Further findings show that N-LaPO4/C + RuO2 can be applied in rechargeable Zn-air batteries as an air cathode, showing a good power density and a long cycle life.
KW - machine learning
KW - N-regulated lanthanum phosphate,
KW - oxygen reduction reaction,
KW - SDG7: Affordable and clean energy
KW - theoretical calculations,
KW - X-ray absorption spectroscopy,
UR - http://www.scopus.com/inward/record.url?scp=85144804001&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85144804001&partnerID=8YFLogxK
U2 - 10.1016/j.checat.2022.11.008
DO - 10.1016/j.checat.2022.11.008
M3 - Article
AN - SCOPUS:85144804001
SN - 2667-1107
VL - 2
SP - 3590
EP - 3606
JO - Chem Catalysis
JF - Chem Catalysis
IS - 12
ER -