Engineering nanointerface of molybdenum-based heterostructures to boost the electrocatalytic hydrogen evolution reaction

Rational heterostructure-design in electrocatalysts represents a promising approach toward high performance in the electrocatalytic hydrogen evolution reaction (HER). In specific, optimizing the H adsorption behavior at the surface/interface of heterostructure is of key importance to improve the catalytic performance. Herein, we demonstrate the construction of a heterostructure from a well-defined oxygenbridged Co/Mo heterometallic zeolitic imidazolate framework (MOZ) as an efficient electrocatalyst for HER. The optimized hybrid exhibits high catalytic activity and stability in electrolytes with a wide pH range. Detailed XPS, XAS and theoretical studies reveal that the regulation of metal species can tailor the lattice of Mo2C within the hybrid and induce the formation of defect sites, which could not only induce surface charge transfer between the atoms and provide an additional active site, but also affect the H adsorption behavior at the interface of a heterostructure. This work provides an effective strategy to design a heterostructure with tailored active sites for energy conversion. (C) 2020 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by ELSEVIER B.V. and Science Press. All rights reserved.

Automated summary

The rational design of heterostructures in electrocatalysts is a promising approach for high performance in the hydrogen evolution reaction (HER). By optimizing the H adsorption behavior at the surface/interface of the heterostructure, the catalytic performance can be improved. The constructed heterostructure from a well-defined oxygen-bridged Co/Mo heterometallic zeolitic imidazolate framework shows high catalytic activity and stability in a wide pH range, achieved by regulating metal species to tailor the lattice of Mo2C and induce the formation of defect sites.