Constructing abundant interfaces by decorating MoP quantum dots on CoP nanowires to induce electronic structure modulation for enhanced hydrogen evolution reaction

Yuanyuan Chen; Tingting Sui; Chaojie Lyu; Kaili Wu; Jiwen Wu; Meifang Huang; Ju Hao; Woon-Ming Lau; Chubin Wan; Dawei Pang; Jinlong Zheng

doi:10.1039/d3mh00644a

Constructing abundant interfaces by decorating MoP quantum dots on CoP nanowires to induce electronic structure modulation for enhanced hydrogen evolution reaction

Mater Horiz. 2023 Aug 29;10(9):3761-3772. doi: 10.1039/d3mh00644a.

Authors

Yuanyuan Chen¹, Tingting Sui¹, Chaojie Lyu¹, Kaili Wu¹, Jiwen Wu¹, Meifang Huang¹, Ju Hao¹, Woon-Ming Lau^{1

2}, Chubin Wan¹, Dawei Pang³, Jinlong Zheng^{1

2}

Affiliations

¹ Beijing Advanced Innovation Center for Materials Genome Engineering, Center for Green Innovation, School of Mathematics and Physics, University of Science and Technology Beijing, Beijing, 100083, P. R. China. cbwan@ustb.edu.cn.
² Shunde Innovation School, University of Science and Technology Beijing, Foshan, 528399, P. R. China.
³ Beijing Key Laboratory of Solid Microstructure and Properties, Department of Materials and Manufacturing, Beijing University of Technology, Beijing, 100124, P. R. China. gavinpang@emails.bjut.edu.cn.

PMID: 37404093
DOI: 10.1039/d3mh00644a

Abstract

Interface engineering is a method of enhancing catalytic activity while maintaining a material's surface properties. Thus, we explored the interface effect mechanism via a hierarchical structure of MoP/CoP/Cu₃P/CF. Remarkably, the heterostructure MoP/CoP/Cu₃P/CF demonstrates an outstanding overpotential of 64.6 mV at 10 mA cm^-2 with a Tafel slope of 68.2 mV dec^-1 in 1 M KOH. DFT calculations indicate that the MoP/CoP interface in the catalyst exhibited the most favorable H* adsorption characteristics (-0.08 eV) compared to the pure phases of CoP (0.55 eV) and MoP (0.22 eV). This result can be attributed to the apparent modulation of electronic structures within the interface domains. Additionally, the CoCH/Cu(OH)₂/CF‖MoP/CoP/Cu₃P/CF electrolyzer demonstrates excellent overall water splitting performance, achieving 10 mA cm^-2 in 1 M KOH solution with a modest voltage of only 1.53 V. This electronic structure adjustment via interface effects provides a new and efficient approach to prepare high-performance hydrogen production catalysts.