Adsorption and sensing behaviors of SF6 decomposed species on Ni-doped C3N monolayer: A first-principles study
Hao Cui, Chao Yan, Pengfei Jia, Wen Cao
Topics & Concepts
MonolayerAdsorptionDensity functional theoryVacancy defectDopingChemical physicsMoleculeMaterials scienceTransition metalComputational chemistryCrystallographyNanotechnologyChemistryPhysical chemistryOrganic chemistryCatalysisOptoelectronics2D Materials and ApplicationsGraphene research and applicationsMXene and MAX Phase Materials