电子描述器用于识别E-NRR的SAC活动和BF3作为电解质离子的影响

Narad Barman1, Samadhan Kapse1, Ranjit Thapa1,2

  • 1Department of Physics, SRM University AP, Amaravati, Andhra Pradesh, 522240, India.

ChemSusChem
|August 13, 2024
PubMed
概括

开发高效的单原子催化剂 (SAC) 用于电化学氨合成 (e-NRR) 是至关重要的. 这项研究确定了一个关键的电子描述符,dxz↓占用率,以预测催化剂性能和选择性,加速催化剂设计.

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