DFT study of Se and SeO2 adsorbed on CaO (0 0 1) surface: Role of oxygen
Jiaying Xing, Chunbo Wang, Chan Zou, Yue Zhang
Topics & Concepts
AdsorptionChemistryDensity functional theoryMoleculeSeleniumCovalent bondOxygenValence (chemistry)Atom (system on chip)ChemisorptionInorganic chemistryPhysical chemistryComputational chemistryOrganic chemistryEmbedded systemComputer scienceCoal and Its By-productsMercury impact and mitigation studiesSelenium in Biological Systems