The Sensing Mechanism Of Novel Two-dimensional Materials Based Micro-nano Sensors

Since 2004,graphene was discovered,the two-dimensional material has become a new research hotspot.Because of the excellent physical and chemical properties of two-dimensional materials,the application of two-dimensional materials in sensors is of great potential.But the properties of existing two-dimensional materials are not perfect,therefore,researchers are expecting a two-dimensional material with excellent properties,easy to prepare,and can be used for electronic devices and sensors.In this thesis,the electronic and optical properties of two-dimensional materials were investigated by using the first principles calculations.The theoretical foundation were paved for future application in sensors.The thesis is arranged as follows:Firstly,the heteronuclear dihydrogen bonding and external electric field can effectively control the electrical properties and work function of graphane/fully hydrogenated hexagonal boron nitrogen(G/fHBN)heterostructure,have been proved by using van der Waals corrected density functional theory.When the external electric field applied in different directions,the obvious metal-insulator-semiconductor transition was observed,showing a unilateral conductivity,lower work function values and high sensitivity to the external electric field.Then,the carrier mobilities of G/fHBN heterostructure were calculated.Secondly,owing to the great effect of hetero nuclear dihydrogen bonding in adjusting the properties of heterostructure,then the effect of dihydrogen bonding on the stability,electronic and optical properties of graphane/silicane and fully hydrogenated boron nitride/silicane heterostructure were explored.The effect of external electric field to the stability and electronic properties of the heterostructure ware investigated.The carrier mobilities of these heterostructure were also calculated.Finally,the electronic properties of graphene/alumina bilayer structure were studied.The effects of doping on the electronic properties of graphene/alumina bilayer struct ure were also investigated.