DFT analysis of H2S adsorbed zigzag and armchair graphene nanoribbons
Harshika Suman, Reena Srivastava, Sadhna Shrivastava, Anurag Srivastava, Alain Jacob, Chandra Shekhar Malvi
Topics & Concepts
ZigzagGraphene nanoribbonsGrapheneConductanceDensity functional theoryMaterials scienceBand gapAdsorptionAb initioConductivityCondensed matter physicsFermi levelNanotechnologyChemical physicsComputational chemistryChemistryOptoelectronicsPhysical chemistryPhysicsGeometryQuantum mechanicsOrganic chemistryElectronMathematicsGraphene research and applications2D Materials and ApplicationsMolecular Junctions and Nanostructures