Theoretical Study on P-coordinated Metal Atoms Embedded in Arsenene for the Conversion of Nitrogen to Ammonia
Ruofei Song, Jian Yang, Mingyuan Wang, Zhenzhen Shi, Xiaopeng Zhu, Xiangzhao Zhang, Minghua He, Guiwu Liu, Guanjun Qiao, Ziwei Xu
Abstract
from a theoretical perspective and provides significant insights and theoretical guidance for future experimental research.
Topics & Concepts
OverpotentialCatalysisAmmoniaRedoxTransition metalElectrochemistryNitrogenDensity functional theoryMetalChemistryAmmonia productionNanotechnologyMaterials scienceChemical physicsInorganic chemistryPhysical chemistryComputational chemistryElectrodeBiochemistryOrganic chemistryAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesHydrogen Storage and Materials