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Molecular-Level Engineered Approach Induces Built-in Electric Field Modulation in G-C3N4/CoMoS2 Heterojunction for
Boka Fikadu Banti1, Birhanu Bayissa Gicha2, Mahendra Goddati2,3
1Department of Chemistry, Chungnam National University, Daejeon, Republic of Korea.
Small (Weinheim an Der Bergstrasse, Germany)
|May 19, 2026
Summary
This study introduces g-C3N4/CoMoS2 hybrid electrocatalysts for efficient urea-assisted hydrogen production. These catalysts lower energy consumption by utilizing urea oxidation, achieving high performance and stability.
Area of Science:
- Materials Science
- Electrochemistry
- Catalysis
Background:
- Urea-assisted electrolysis enhances hydrogen production by replacing the oxygen evolution reaction (OER) with the urea oxidation reaction (UOR).
- Heterojunction engineering is crucial for optimizing catalyst performance by controlling charge distribution and active sites.
Purpose of the Study:
- To develop novel g-C3N4/CoMoS2 hybrid electrocatalysts for efficient urea-assisted hydrogen production.
- To investigate the role of the built-in electric field at the g-C3N4/CoMoS2 heterojunction in urea adsorption and C-N bond cleavage.
Main Methods:
- Facile electrodeposition strategy to synthesize g-C3N4/CoMoS2 hybrid electrocatalysts.
- Electrochemical characterization to evaluate bifunctional activity towards UOR and HER.
- Density Functional Theory (DFT) calculations to elucidate reaction mechanisms and interfacial charge transfer.
Main Results:
- The g-C3N4/CoMoS2 electrocatalyst demonstrated remarkable bifunctional activity, achieving low potentials for both UOR (1.27 V vs. RHE) and HER (-80 mV vs. RHE) at 10 mA cm−2.
- The built-in electric field at the heterojunction facilitated selective urea activation and promoted C-N bond cleavage.
- DFT calculations confirmed enhanced charge transfer, optimized urea adsorption, and reduced reaction energy barriers due to interfacial electron transfer.
Conclusions:
- The g-C3N4/CoMoS2 hybrid electrocatalyst offers an efficient and energy-saving solution for urea-assisted hydrogen production.
- The study highlights the importance of intrinsic electric fields in heterojunctions for precise control of charge distribution and catalytic activity.
- This work provides a rational framework for designing advanced electrocatalysts for sustainable energy applications.
