DFT exploration of sensor performances of two-dimensional WO3 to ten small gases in terms of work function and band gap changes and I-V responses
Jiahui Li, Jie Wu, Yang‐Xin Yu
Topics & Concepts
BoropheneGrapheneDensity functional theoryWork functionMoleculeMaterials scienceAdsorptionBand gapWork (physics)Chemical physicsNon-equilibrium thermodynamicsNano-NanotechnologyOptoelectronicsComputational chemistryChemistryLayer (electronics)Physical chemistryPhysicsThermodynamicsOrganic chemistryComposite materialGas Sensing Nanomaterials and SensorsTransition Metal Oxide Nanomaterials2D Materials and Applications