Transition metal decorated ZnO monolayer for CO and NO sensing: A DFT + U study with vdW correction
Lalmuanchhana, Lalmuanchhana, Bernard Lalroliana, Ramesh Chandra Tiwari, Lalhriatzuala, Lalhriatzuala, Ramakrishna Madaka
Topics & Concepts
AdsorptionMonolayervan der Waals forceDensity functional theoryTransition metalAtomic orbitalMoleculeBinding energyMaterials scienceAtom (system on chip)Range (aeronautics)Physical chemistryAtomic physicsChemistryNanotechnologyComputational chemistryPhysicsOrganic chemistryCatalysisElectronComputer scienceComposite materialQuantum mechanicsEmbedded systemGas Sensing Nanomaterials and SensorsGraphene research and applications2D Materials and Applications