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Updated: Jun 25, 2026

Synthesis of Platinum-nickel Nanowires and Optimization for Oxygen Reduction Performance
Published on: April 27, 2018
Metal Clusters Effectively Adjust the Local Environment of Polymeric Carbon Nitride for Bifunctional Overall Water
Anqi Shi1, Wentao Li2, Xiuyun Zhang3
1State Key Laboratory of Organic Electronics and Information Displays & Institute of Advanced Materials (IAM), School of Science, Nanjing University of Posts & Telecommunications, Nanjing 210023, China.
Abstract:
Compared with single-atom catalysts, clusters not only possess more metal-loadings and stability but also provide flexible active sites to break the linear scaling relationship of multistep reactions. However, exploring precise structure-activity relationships and the synergistic effect between clusters and nanosheets is still in its infancy. Here, based on first-principles and nonequilibrium Green's function simulation, the C2N-supported Fe and Co tetrahedral clusters exhibit remarkable bifunctional catalytic performance with a very low overpotential of hydrogen (0.12 and 0.07 V) /oxygen (0.20 and 0.55 V) evolution reactions (HER/OER), respectively. The C2N-regulated Fe and Co clusters have suitable d-band centers around the Fermi surface for HER. In turn, the Fe and Co clusters activate the subadjacent dual-carbon sites for OER. Simultaneously, the cluster enhances the electronic conductivity of C2N, and the initial current only needs ultralow bias voltage around 0.1-0.4 V. The desired metal cluster regulation strategy offers cost-effective potential for advancing clean energy technology.
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