A first-principles study on the electronic, piezoelectric, and optical properties and strain-dependent carrier mobility of Janus TiXY (X ≠ Y, X/Y = Cl, Br, I) monolayers
Qiu Yang, Tian Zhang, Cui-E Hu, Xiang-Rong Chen, Hua-Yun Geng
Abstract
for the TiClI monolayer, suggesting their promising applications in piezoelectric sensors and energy storage applications. The absorption spectra of Janus TiXY monolayers are mainly distributed in the visible and infrared regions, implying that they are fantastic candidates for photoelectric and photovoltaic applications. The obtained carrier mobilities revealed that TiXY monolayers are hole-type semiconductors. Under uniaxial compressive strain, the hole mobilities of these monolayers are gradually improved, indicating that TiXY monolayers have potential applications in the field of flexible electronic devices.
Topics & Concepts
JanusPiezoelectricityMonolayerStrain (injury)Materials scienceElectron mobilityCondensed matter physicsChemical physicsChemistryCrystallographyNanotechnologyOptoelectronicsStereochemistryPhysicsComposite materialInternal medicineMedicinePerovskite Materials and Applications2D Materials and ApplicationsMXene and MAX Phase Materials