Density functional theory investigation of As4, As2 and AsH3 adsorption on Ti-doped graphene
Ming Lei, Yanchao Zhang, Mengyao Wang, Weijie Yang, Zhengyang Gao
Topics & Concepts
AdsorptionGrapheneDensity functional theoryChemisorptionIonic bondingVacancy defectArsenicFermi levelMaterials scienceSubstrate (aquarium)Density of statesInorganic chemistryPhysical chemistryDopingChemistryComputational chemistryCrystallographyIonNanotechnologyElectronOrganic chemistryPhysicsGeologyOceanographyOptoelectronicsQuantum mechanicsCondensed matter physicsArsenic contamination and mitigationCarbon and Quantum Dots ApplicationsGraphene research and applications