Hazardous gas adsorption of Janus HfSeTe monolayer adjusted by surface vacancy defect: A DFT study
Lili Wan, Dachang Chen, Wu Zeng, Jie Li, Song Xiao
Topics & Concepts
Work functionMonolayerAdsorptionVacancy defectMaterials scienceJanusDensity functional theoryChemical physicsAtom (system on chip)Dangling bondMoleculePhysical chemistryNanotechnologyComputational chemistryCrystallographyChemistryOrganic chemistryLayer (electronics)MetallurgySiliconEmbedded systemComputer science2D Materials and ApplicationsQuantum Dots Synthesis And PropertiesMXene and MAX Phase Materials