Highly enhanced NH3-sensing performance of BC6N monolayer with single vacancy and Stone-Wales defects: A DFT study
Yongliang Yong, Feifei Ren, Zijia Zhao, Ruilin Gao, Song Hu, Qingxiao Zhou, Yanmin Kuang
Topics & Concepts
MonolayerAdsorptionVacancy defectMaterials scienceMoleculeDensity functional theoryChemical physicsNanotechnologyChemistryCrystallographyComputational chemistryPhysical chemistryOrganic chemistry2D Materials and ApplicationsMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials Research