Comparative study of the micro-mechanism of functional group selection at TMD-MXene interfaces: WSe2-Ti3C2Tx heterostructures via functional group substitution from group IV, V, VI, and VII as the prototype
Zhixin Hou, Jieshi Chen, Yi Zheng, Hao Lü, Kai Xiong, Mengjia Xu
Topics & Concepts
Density functional theoryHeterojunctionFunctional groupChemistryGroup (periodic table)Schottky barrierWork functionOhmic contactFunctional analysisCharge (physics)Materials scienceCrystallographyQuantum tunnellingStereochemistryModulation (music)Electronic structureNanotechnologyComputational chemistryMXene and MAX Phase Materials2D Materials and ApplicationsSemiconductor materials and interfaces