Tuning single metal atoms anchored on graphdiyne for highly efficient and selective nitrate electroreduction to ammonia under aqueous environments: A computational study
Meiqi Yang, Zhongxu Wang, Dongxu Jiao, Gang Li, Qinghai Cai, Jingxiang Zhao
Topics & Concepts
CatalysisElectrocatalystAdsorptionNitrateAmmoniaElectrochemistryTransition metalDensity functional theoryAqueous solutionChemistryMetalSelective catalytic reductionInorganic chemistrySelectivityAmmonia productionComputational chemistryChemical physicsMaterials sciencePhysical chemistryOrganic chemistryElectrodeAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesCovalent Organic Framework Applications