Modulating Electronic Structure by Etching Strategy to Construct NiSe2/Ni0.85Se Heterostructure for Urea‐Assisted Hydrogen Evolution Reaction

Exploring and developing novel strategies for constructing heterostructure electrocatalysts is still challenging for water electrolysis. Herein, a creative etching treatment strategy is adopted to construct NiSe2/Ni0.85Se heterostructure. The rich heterointerfaces between NiSe2 and Ni0.85Se emerge s...

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Bibliographic Details
Published in:Small (Weinheim an der Bergstrasse, Germany) Germany), 2024-03, Vol.20 (9), p.n/a
Main Authors: Wu, Kaili, Lyu, Chaojie, Cheng, Jiarun, Guo, Zhonglu, Li, Hongyu, Zhu, Xixi, Lau, Woon‐Ming, Zheng, Jinlong
Format: Article
Language:English
Subjects:
Charge transfer
density functional theory calculations
Electrocatalysts
electrocatalytic water splitting
Electrolysis
Electron transfer
Electronic structure
Electrons
Etching
Heterojunctions
Heterostructures
Hydrogen
Hydrogen evolution reactions
Hydrogen production
Nanomaterials
Oxygen evolution reactions
transition metal selenides
urea oxidation reaction
Ureas
Valence
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Summary:Exploring and developing novel strategies for constructing heterostructure electrocatalysts is still challenging for water electrolysis. Herein, a creative etching treatment strategy is adopted to construct NiSe2/Ni0.85Se heterostructure. The rich heterointerfaces between NiSe2 and Ni0.85Se emerge strong electronic interaction, which easily induces the electron transfer from NiSe2 to Ni0.85Se, and tunes the charge‐state of NiSe2 and Ni0.85Se. In the NiSe2/Ni0.85Se heterojunction nanomaterial, the higher charge‐state Ni0.85Se is capable of affording partial electrons to combine with hydrogen protons, inducing the rapid formation of H2 molecule. Accordingly, the lower charge‐state NiSe2 in the NiSe2/Ni0.85Se heterojunction nanomaterial is more easily oxidized into high valence state Ni3+ during the oxygen evolution reaction (OER) process, which is beneficial to accelerate the mass/charge transfer and enhance the electrocatalytic activities towards OER. Theoretical calculations indicate that the heterointerfaces are conducive to modulating the electronic structure and optimizing the adsorption energy toward intermediate H* during the hydrogen evolution reaction (HER) process, leading to superior electrocatalytic activities. To expand the application of the NiSe2/Ni0.85Se‐2h electrocatalyst, urea is served as the adjuvant to proceed with the energy‐saving hydrogen production and pollutant degradation, and it is proven to be a brilliant strategy. A creative etching treatment strategy is developed to construct NiSe2/Ni0.85Se heterostructure nanooctahedrons. After etching treatment, the electronic interaction emerges at the heterointerface between NiSe2 and Ni0.85Se and induces the electron transfer from NiSe2 to Ni0.85Se, which eventually modulates the electronic structures and optimizes the Gibbs free energy of H*, contributing to superior catalytic activities.
ISSN:1613-6810
1613-6829
DOI:10.1002/smll.202304390