Unraveling the capacitive effect in the vacancy-heterostructure WTe2/MoTe2 for hydrogen evolution reaction by the grand canonical potential kinetics. (1st August 2022)

• Record Type: Journal Article
• Authors: Wang, Wugang; Kwon, Soonho; Xu, Lai; Goddard, William A.
• Is Part Of: International journal of hydrogen energy. Volume 47:Number 66(2022)
• Page Start: 28448
• Page End: 28461
• Publication Date: 2022-08-01
• Subjects: Vacancy-heterostructure -- Transition metal dichalcogenides -- Differential capacitance -- Grand canonical potential kinetics(GCP-K); Hydrogen as fuel -- Periodicals; Hydrogène (Combustible) -- Périodiques; Hydrogen as fuel; Periodicals; 665.81
• DOI: 10.1016/j.ijhydene.2022.06.150
• Languages: English
• ISSNs: 0360-3199

Abstract

Abstract: Heterostructure shows superior catalytic performance since it inherits the catalytic properties of the components, and has the advantages of van der Waals interaction. Herein, we build a vacancy-van der Waals heterostructure with MoTe2 and WTe2 which forms a capacitor tuning performance, playing an important role in the energy barrier balance of the catalytic reaction. By using the grand canonical reaction kinetics (GCP-K) to explore the electrocatalytic, we predict the Tafel slope of the HER reaction is 81.31 mV/dec through changing applied potential. Graphical abstract: Image 1 Highlights: We used van der Waals interaction to design a new vacancy-heterostructure system. We proposed a capacitor model which participates in the HER reaction. We used GCP-K to obtain the Tafel slope (81.31 mV/dec) which is closer to experiment than CHE method.