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Updated: Sep 23, 2025

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
Published on: April 10, 2018
Temperature-Induced Structure Transformation from Co0.85Se to Orthorhombic Phase CoSe2 Realizing Enhanced Hydrogen
Jing Bai1,2, Yechen Wang1, Yange Wang1
1Beijing Advanced Innovation Center for Materials Genome Engineering, School of Material Science and Engineering, University of Science and Technology Beijing, Beijing 100083, People's Republic of China.
Abstract:
Transition-metal chalcogenides (TMC) have been widely studied as active electrocatalysts toward the hydrogen evolution reaction due to their suitable d-electron configuration and relatively high electrical conductivity. Herein, we develop a feasible method to synthesize an orthorhombic phase of CoSe2 (o-CoSe2) from the regeneration of Co0.85Se, where the temperature plays a key role in controlling the structure transformation. To the best of our knowledge, this is the first report about this synthetic route for o-CoSe2. The resulting o-CoSe2 catalysts exhibit enhanced hydrogen evolution reaction performance with an overpotential of 220 mV to reach 10 mA cm-2 in 1.0 M KOH. Density functional theory calculations further reveal that the change in the Gibbs free energy of hydrogen, water adsorption energy, and the downshifted d-band center make o-CoSe2 more suitable for accelerating the HER process.
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