MgTe for efficient adsorption of lithium-ion battery fault gases (H2, CO, and CO2) and failure risk index calculation: a DFT computational study

Surfaces and Interfaces, Journal Year: 2024, Volume and Issue: 53, P. 104995 - 104995

Published: Aug. 25, 2024

Language: Английский

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Anomalous hybridized excitons induced by combined effects of van der Waals coupling and Rashba spin-orbit coupling

Nanotechnology, Journal Year: 2024, Volume and Issue: 35(48), P. 485705 - 485705

Published: Aug. 30, 2024

Abstract As a typical transition-metal dichalcogenide, MoS 2 has drawn wide attention due to its good stability and excellent physicochemical properties, making it suitable for visible-region optoelectronic devices. To expand application, bandgap engineering via heterostructure, thus far, was conventionally employed tune the band gap. However, this strategy disadvantage that energy levels of bands do not show obvious changes compared isolated components, limiting range applications. Here, we achieve hybridized excitons induced by combined effects Van der Waals (vdW) coupling Rashba spin–orbit (SOC), with small exciton 0.65 eV. For purpose, design /MoWC where built-in field (due absence mirror symmetry) induces SOC contributes anomalous states, vdW coupling. An effective model is proposed demonstrate states heterostructure. Our approach reveals novel mechanics providing new physical ways infrared-region

Language: Английский

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Magnetism Engineering in MoS$$_{2}$$ Monolayer Through Doping with Superhalogens

Journal of Inorganic and Organometallic Polymers and Materials, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 21, 2024

Language: Английский

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Strain induced nitrobenzene sensing performance of MoSi2N4 monolayer: Investigation from density functional theory

Surfaces and Interfaces, Journal Year: 2024, Volume and Issue: 55, P. 105386 - 105386

Published: Nov. 2, 2024

Language: Английский

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