First-principles study of highly sensitive graphene/hexagonal boron nitride heterostructures for application in toxic gas-sensing devices
Thi Viet Bac Phung, Ba Lich Pham, Nguyen Vo Anh Duy, Minh Triết Đặng, Thi Nhan Tran, Tran Quang Huy, Luong Thi Theu, Van An Dinh
Abstract
gases, based on the different amounts of charge transferred from the substrate to the adsorbed gas molecules. Using the non-equilibrium Green functions in the context of density functional theory, we quantitatively associated these charge transfers with the reduction of the current passing through these scattering regions. These results demonstrate that graphene/h-BN heterostructures can be exploited as highly sensitive and selective room-temperature gas sensors for detecting toxic gases.
Topics & Concepts
GrapheneHexagonal boron nitrideHeterojunctionDensity functional theoryMaterials scienceToxic gasSelectivityHexagonal crystal systemBoron nitrideSensitivity (control systems)NanotechnologyOptoelectronicsChemistryComputational chemistryElectronic engineeringEnvironmental chemistryOrganic chemistryCatalysisCrystallographyEngineeringGraphene research and applications2D Materials and ApplicationsGas Sensing Nanomaterials and Sensors