A density functional theory study of molecular H2S adsorption on (4,0) SWCNT doped with Ge, Ga and B
Gözde Gecim, Mehtap Özekmekci
Topics & Concepts
Density functional theoryAdsorptionDopingChemistryComputational chemistryPhysical chemistryMaterials scienceOptoelectronicsHydrogen Storage and MaterialsBoron and Carbon Nanomaterials ResearchAdvanced Chemical Physics Studies