DFT analysis of the sensitivity of graphene/MoS2 heterostructures toward H2CO
Huanyu Miao, Qingxiao Zhou, Jie Hou, Xiaoyang Liu, Weiwei Ju, Yongliang Yong, Zenghui Zhao, Yajing Wang
Topics & Concepts
GrapheneHeterojunctionDopantDensity functional theoryVacancy defectMaterials scienceOrbital hybridisationMagnetic momentChemical physicsDopingChemisorptionAdsorptionMoleculeNanotechnologyCondensed matter physicsMolecular orbitalChemistryComputational chemistryOptoelectronicsPhysical chemistryMolecular orbital theoryPhysicsOrganic chemistryGas Sensing Nanomaterials and SensorsGraphene research and applications2D Materials and Applications