First-Principles Study on the CO2 Reduction Reaction (CO2RR) Performance of h-BN-Based Single-Atom Catalysts Modified with Transition Metals
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The reasonable design of low-cost, high-activity single-atom catalysts (SACs) is crucial for achieving highly efficient electrochemical CO2RR. In this study, we systematically explore, using density functional theory (DFT), the performance of transition metal ... ...
