Efficient N<sub>2</sub> electroreduction enabled by linear charge transfer over atomically dispersed W sites
Jin Wan, Dong Liu, Chuanzhen Feng, Huijuan Zhang, Yu Wang
Abstract
= 0.9889), providing a feasible activity descriptor. Furthermore, electronic property calculations suggest that the NRR activity is rooted in d-2π* coupling, which can be explained by the "donation and back-donation" hypothesis. This work not only designs efficient atomic catalysts for NRR, but also sheds new insights into the role of neighboring single atoms in improving reaction kinetics.
Topics & Concepts
Charge (physics)CatalysisTransfer (computing)Materials scienceNanotechnologyCrystallographyChemical physicsChemistryPhysicsComputer scienceOrganic chemistryQuantum mechanicsParallel computingAmmonia Synthesis and Nitrogen ReductionCO2 Reduction Techniques and CatalystsElectrocatalysts for Energy Conversion