Efficient modulation of the catalytic performance of electrocatalytic nitrogen reduction with transition metals anchored on N/O-codoped graphene by coordination engineering - Wang, Xiaolin; Yang, Li-Ming (Journal of materials chemistry. A, Materials for energy and sustainability, 2022)
Keywords: Adsorption; Catalysts; Catalytic activity; Chemical reduction; Coordination; Electrocatalysts; Electronic structure; energy; Engineering; First principles; Graphene; High-throughput screening; Intermediates; Modulation; Molecular dynamics; Nitrogen; Nitrogen fixation; Nitrogenation; Transition metals