Correlating the three-dimensional atomic defects and electronic properties of two-dimensional transition metal dichalcogenides
Xuezeng Tian, Dennis Kim, Shize Yang, Christopher J. Ciccarino, Yongji Gong, Yongsoo Yang, Yao Yang, Blake Duschatko, Yakun Yuan, Pulickel M. Ajayan, Juan Carlos Idrobo, Prineha Narang, Jianwei Miao
Topics & Concepts
DopantMaterials scienceDensity functional theoryElectronic structureTransition metalAb initioCrystal (programming language)Atomic radiusDopingMolecular physicsChemistryComputational chemistryOptoelectronicsComputer scienceOrganic chemistryProgramming languageBiochemistryCatalysis2D Materials and ApplicationsGraphene research and applicationsMachine Learning in Materials Science