First-principles study on the adsorption and sensing properties of methyl acetate on VTe2 doped systems (Ti, Sc, Ru, Y)

Transition metal dichalcogenide (TMD) sensors feature a large surface-to-volume ratio, high sensitivity, fast response time, and low energy consumption. Among these materials, VTe2, with its spin polarization, shows potential as a magnetic sensor. This study aims to provide theoretical guidance for...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2024-12, Vol.26 (48), p.29825-29833
Hauptverfasser:	Guan-nan, Wang, Zhang, Hong
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorption Density functional theory Design for recycling Doping Electron spin Electronic properties Energy consumption First principles Magnetic moments Magnetic properties Molecular dynamics Polarization (spin alignment) Recyclability Ruthenium Scandium Sensors Surface chemistry Transition metal compounds
Online-Zugang:	Volltext
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