Adsorption mechanism of SO2 on vacancy-defected graphene and Ti doped graphene: A DFT study
Zhendong Zhang, Bin Liang, Yaqing Chi, Yande Jiang, Juan Song, Yang Guo
Topics & Concepts
GrapheneMaterials scienceVacancy defectDopantAdsorptionDopingDensity functional theoryChemical physicsFermi levelChemisorptionDensity of statesGraphene nanoribbonsFermi energyNanotechnologyCondensed matter physicsComputational chemistryPhysical chemistryOptoelectronicsChemistryPhysicsElectronQuantum mechanicsGraphene research and applicationsGas Sensing Nanomaterials and Sensors2D Materials and Applications