中文版 | English
Title

Deciphering the selectivity descriptors of heterogeneous metal phthalocyanine electrocatalysts for hydrogen peroxide production

Author
Corresponding AuthorLiang, Yongye
Publication Years
2022-09-01
DOI
Source Title
ISSN
2041-6520
EISSN
2041-6539
Abstract
The electrocatalytic 2e- oxygen reduction reaction (2e- ORR) provides an appealing pathway to produce hydrogen peroxide (H2O2) in a decentralized and clean manner, which drives the demand for developing high selectivity electrocatalysts. However, current understanding on selectivity descriptors of 2e- ORR electrocatalysts is still insufficient, limiting the optimization of catalyst design. Here we study the catalytic performances of a series of metal phthalocyanines (MPcs, M = Co, Ni, Zn, Cu, Mn) for 2e- ORR by combining density functional theory calculations with electrochemical measurements. Two descriptors (Delta G*O - Delta G*OOH and Delta G*H2O2) are uncovered for manipulating the selectivity of H2O2 production. Delta G*O - Delta G*OOH reflects the preference of O-O bond breaking of *OOH, affecting the intrinsic selectivities. Due to the high value of Delta G*O - Delta G*OOH, the molecularly dispersed electrocatalyst (MDE) of ZnPc on carbon nanotubes exhibits high selectivity, even superior to the previously reported NiPc MDE. Delta G*H2O2 determines the possibility of further H2O2 reduction to affect the measured selectivities. Enhancing the hydrophobicity of the catalytic layer can increase Delta G*H2O2, leading to selectivity improvement, especially under high H2O2 production rates. In the gas diffusion electrode measurements, both ZnPc and CoPc MDEs with polytetrafluoroethylene (PTFE) exhibit low overpotentials, high selectivities, and good stability. This study provides guidelines for rational design of 2e- ORR electrocatalysts.
URL[Source Record]
Indexed By
Language
English
Important Publications
NI Journal Papers
SUSTech Authorship
First ; Corresponding
Funding Project
National Natural Science Foundation of China[22075125]
WOS Research Area
Chemistry
WOS Subject
Chemistry, Multidisciplinary
WOS Accession No
WOS:000854203900001
Publisher
Data Source
Web of Science
Citation statistics
Cited Times [WOS]:2
Document TypeJournal Article
Identifierhttp://kc.sustech.edu.cn/handle/2SGJ60CL/402348
DepartmentDepartment of Materials Science and Engineering
Affiliation
Southern Univ Sci & Technol, Dept Mat Sci & Engn, Shenzhen 518055, Peoples R China
First Author AffilicationDepartment of Materials Science and Engineering
Corresponding Author AffilicationDepartment of Materials Science and Engineering
First Author's First AffilicationDepartment of Materials Science and Engineering
Recommended Citation
GB/T 7714
Yuan, Yubo,Li, Huan,Jiang, Zhan,et al. Deciphering the selectivity descriptors of heterogeneous metal phthalocyanine electrocatalysts for hydrogen peroxide production[J]. Chemical Science,2022.
APA
Yuan, Yubo.,Li, Huan.,Jiang, Zhan.,Lin, Zhichao.,Tang, Yirong.,...&Liang, Yongye.(2022).Deciphering the selectivity descriptors of heterogeneous metal phthalocyanine electrocatalysts for hydrogen peroxide production.Chemical Science.
MLA
Yuan, Yubo,et al."Deciphering the selectivity descriptors of heterogeneous metal phthalocyanine electrocatalysts for hydrogen peroxide production".Chemical Science (2022).
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