Electrocatalytic enhancement mechanism of cobalt single atoms anchored on different MXene substrates in oxygen and hydrogen evolution reactions

Abstract Decorating single atoms of transition metals on MXenes to enhance the electrocatalytic properties of the resulting composites is a useful strategy for developing efficient electrocatalysts, and the mechanisms behind this enhancement are under intense scrutiny. Herein, we anchored Co single...

Full description

Bibliographic Details
Main Authors: Xin Zhao, Xuerong Zheng, Qi Lu, Ying Li, Fengping Xiao, Bing Tang, Shixun Wang, Denis Y. W. Yu, Andrey L. Rogach
Format: Article
Language:English
Published: Wiley 2023-02-01
Series:EcoMat
Subjects:
Online Access:https://doi.org/10.1002/eom2.12293
_version_ 1811291628133941248
author Xin Zhao
Xuerong Zheng
Qi Lu
Ying Li
Fengping Xiao
Bing Tang
Shixun Wang
Denis Y. W. Yu
Andrey L. Rogach
author_facet Xin Zhao
Xuerong Zheng
Qi Lu
Ying Li
Fengping Xiao
Bing Tang
Shixun Wang
Denis Y. W. Yu
Andrey L. Rogach
author_sort Xin Zhao
collection DOAJ
description Abstract Decorating single atoms of transition metals on MXenes to enhance the electrocatalytic properties of the resulting composites is a useful strategy for developing efficient electrocatalysts, and the mechanisms behind this enhancement are under intense scrutiny. Herein, we anchored Co single atoms onto several commonly used MXene substrates (V2CTx, Nb2CTx and Ti3C2Tx) and systematically studied the electrocatalytic behavior and the mechanisms of oxygen and hydrogen evolution reactions (OER and HER, respectively) of the resulting composites. Co@V2CTx composite displays an OER overpotential of 242 mV and an HER overpotential of 35 mV at 10 mA cm−2 in 1.0 M KOH electrolyte, which is much lower than for Co@Nb2CTx and Co@Ti3C2Tx, making it comparable to the commercial noble metal Pt/C and RuO2/C electrocatalysts. The experimental and theoretical results point out that the enhanced bifunctional catalytic performance of Co@V2CTx benefits from the stronger hybridization between Co 3d and surface terminated O 2p orbitals which optimized the electronic structure of Co single atoms in the composite. This, in turn, results in lowering the OER and HER energy barriers and acceleration of the catalytic kinetics in case of the Co@V2CTx composite. The advantage of Co@V2CTx was further validated by its high overall water splitting performance (1.60 V to deliver 10 mA cm−2). Our study sheds light on the origins of the catalytic activity of single transition metals atoms on MXene substrates, and provides guidelines for designing efficient bifunctional MXene‐based electrocatalysts.
first_indexed 2024-04-13T04:33:12Z
format Article
id doaj.art-5c70e2123a724326baf907ee1a60fc5e
institution Directory Open Access Journal
issn 2567-3173
language English
last_indexed 2024-04-13T04:33:12Z
publishDate 2023-02-01
publisher Wiley
record_format Article
series EcoMat
spelling doaj.art-5c70e2123a724326baf907ee1a60fc5e2022-12-22T03:02:16ZengWileyEcoMat2567-31732023-02-0152n/an/a10.1002/eom2.12293Electrocatalytic enhancement mechanism of cobalt single atoms anchored on different MXene substrates in oxygen and hydrogen evolution reactionsXin Zhao0Xuerong Zheng1Qi Lu2Ying Li3Fengping Xiao4Bing Tang5Shixun Wang6Denis Y. W. Yu7Andrey L. Rogach8Department of Materials Science and Engineering, Center for Functional Photonics (CFP) City University of Hong Kong Hong Kong SAR People's Republic of ChinaDepartment of Materials Science and Engineering, Center for Functional Photonics (CFP) City University of Hong Kong Hong Kong SAR People's Republic of ChinaState Key Laboratory of Marine Resource Utilization in South China Sea, School of Materials Science and Engineering Hainan University Haikou People's Republic of ChinaSchool of Materials Science and Engineering Hebei University of Technology Tianjin People's Republic of ChinaDepartment of Materials Science and Engineering, Center for Functional Photonics (CFP) City University of Hong Kong Hong Kong SAR People's Republic of ChinaDepartment of Materials Science and Engineering, Center for Functional Photonics (CFP) City University of Hong Kong Hong Kong SAR People's Republic of ChinaDepartment of Materials Science and Engineering, Center for Functional Photonics (CFP) City University of Hong Kong Hong Kong SAR People's Republic of ChinaSchool of Energy and Environment and Center of Super‐Diamond and Advanced Films (COSDAF) City University of Hong Kong Hong Kong SAR People's Republic of ChinaDepartment of Materials Science and Engineering, Center for Functional Photonics (CFP) City University of Hong Kong Hong Kong SAR People's Republic of ChinaAbstract Decorating single atoms of transition metals on MXenes to enhance the electrocatalytic properties of the resulting composites is a useful strategy for developing efficient electrocatalysts, and the mechanisms behind this enhancement are under intense scrutiny. Herein, we anchored Co single atoms onto several commonly used MXene substrates (V2CTx, Nb2CTx and Ti3C2Tx) and systematically studied the electrocatalytic behavior and the mechanisms of oxygen and hydrogen evolution reactions (OER and HER, respectively) of the resulting composites. Co@V2CTx composite displays an OER overpotential of 242 mV and an HER overpotential of 35 mV at 10 mA cm−2 in 1.0 M KOH electrolyte, which is much lower than for Co@Nb2CTx and Co@Ti3C2Tx, making it comparable to the commercial noble metal Pt/C and RuO2/C electrocatalysts. The experimental and theoretical results point out that the enhanced bifunctional catalytic performance of Co@V2CTx benefits from the stronger hybridization between Co 3d and surface terminated O 2p orbitals which optimized the electronic structure of Co single atoms in the composite. This, in turn, results in lowering the OER and HER energy barriers and acceleration of the catalytic kinetics in case of the Co@V2CTx composite. The advantage of Co@V2CTx was further validated by its high overall water splitting performance (1.60 V to deliver 10 mA cm−2). Our study sheds light on the origins of the catalytic activity of single transition metals atoms on MXene substrates, and provides guidelines for designing efficient bifunctional MXene‐based electrocatalysts.https://doi.org/10.1002/eom2.12293Co single‐atom catalysthydrogen evolutionMXene substratesoxygen evolutionwater splitting
spellingShingle Xin Zhao
Xuerong Zheng
Qi Lu
Ying Li
Fengping Xiao
Bing Tang
Shixun Wang
Denis Y. W. Yu
Andrey L. Rogach
Electrocatalytic enhancement mechanism of cobalt single atoms anchored on different MXene substrates in oxygen and hydrogen evolution reactions
EcoMat
Co single‐atom catalyst
hydrogen evolution
MXene substrates
oxygen evolution
water splitting
title Electrocatalytic enhancement mechanism of cobalt single atoms anchored on different MXene substrates in oxygen and hydrogen evolution reactions
title_full Electrocatalytic enhancement mechanism of cobalt single atoms anchored on different MXene substrates in oxygen and hydrogen evolution reactions
title_fullStr Electrocatalytic enhancement mechanism of cobalt single atoms anchored on different MXene substrates in oxygen and hydrogen evolution reactions
title_full_unstemmed Electrocatalytic enhancement mechanism of cobalt single atoms anchored on different MXene substrates in oxygen and hydrogen evolution reactions
title_short Electrocatalytic enhancement mechanism of cobalt single atoms anchored on different MXene substrates in oxygen and hydrogen evolution reactions
title_sort electrocatalytic enhancement mechanism of cobalt single atoms anchored on different mxene substrates in oxygen and hydrogen evolution reactions
topic Co single‐atom catalyst
hydrogen evolution
MXene substrates
oxygen evolution
water splitting
url https://doi.org/10.1002/eom2.12293
work_keys_str_mv AT xinzhao electrocatalyticenhancementmechanismofcobaltsingleatomsanchoredondifferentmxenesubstratesinoxygenandhydrogenevolutionreactions
AT xuerongzheng electrocatalyticenhancementmechanismofcobaltsingleatomsanchoredondifferentmxenesubstratesinoxygenandhydrogenevolutionreactions
AT qilu electrocatalyticenhancementmechanismofcobaltsingleatomsanchoredondifferentmxenesubstratesinoxygenandhydrogenevolutionreactions
AT yingli electrocatalyticenhancementmechanismofcobaltsingleatomsanchoredondifferentmxenesubstratesinoxygenandhydrogenevolutionreactions
AT fengpingxiao electrocatalyticenhancementmechanismofcobaltsingleatomsanchoredondifferentmxenesubstratesinoxygenandhydrogenevolutionreactions
AT bingtang electrocatalyticenhancementmechanismofcobaltsingleatomsanchoredondifferentmxenesubstratesinoxygenandhydrogenevolutionreactions
AT shixunwang electrocatalyticenhancementmechanismofcobaltsingleatomsanchoredondifferentmxenesubstratesinoxygenandhydrogenevolutionreactions
AT denisywyu electrocatalyticenhancementmechanismofcobaltsingleatomsanchoredondifferentmxenesubstratesinoxygenandhydrogenevolutionreactions
AT andreylrogach electrocatalyticenhancementmechanismofcobaltsingleatomsanchoredondifferentmxenesubstratesinoxygenandhydrogenevolutionreactions