Adsorption characteristics of acid gases (NO, NO2, SO2 and SO3) on different single-atom nickel adsorbent: A first-principles study
Zhengyang Gao, Lin Li, Hanyu Huang, Shaopeng Xu, Ge Yan, Mingliang Zhao, Zhao Ding
Topics & Concepts
AdsorptionGrapheneDensity functional theoryNickelAtom (system on chip)ChemistryBinding energyMoleculeElectron transferMetalMagnetic momentInorganic chemistryMaterials scienceDensity of statesVacancy defectPhysical chemistryComputational chemistryAtomic physicsNanotechnologyOrganic chemistryCrystallographyEmbedded systemCondensed matter physicsPhysicsComputer scienceGas Sensing Nanomaterials and SensorsCatalytic Processes in Materials ScienceGraphene research and applications