Wang, Wugang and Kwon, Soonho and Xu, Lai and Goddard, William A., III (2022) Unraveling the capacitive effect in the vacancy-heterostructure WTe₂/MoTe₂ for hydrogen evolution reaction by the grand canonical potential kinetics. International Journal of Hydrogen Energy, 47 (66). pp. 28448-28461. ISSN 0360-3199. doi:10.1016/j.ijhydene.2022.06.150. https://resolver.caltech.edu/CaltechAUTHORS:20220711-653040000
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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.
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| Additional Information: | © 2022 Hydrogen Energy Publications LLC. Published by Elsevier. Received 1 March 2022, Revised 3 June 2022, Accepted 16 June 2022, Available online 9 July 2022. L.X. conceived the idea, provided guidance for key steps, and verified the data. W.W. performed DFT calculations. W.W. and L.X. cowrote the paper. L.X. participated in results discussion, modified the content of manuscript, and polished the manuscript. W.A.G. and S.K. gave guidance and helped with jDFT calculations. L.X. acknowledges financial support from the National Natural Science Foundation of China-Major Research Plan (91961120), Major Program in Jiangsu University Natural Science Research (21KJA150004). This project was also funded by Suzhou Key Laboratory of Functional Nano & Soft Materials, Collaborative Innovation Center of Suzhou Nano Science & Technology, the 111 Project. The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper. | ||||||||||
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| Subject Keywords: | Vacancy-heterostructure; Transition metal dichalcogenides; Differential capacitance; Grand canonical potential kinetics(GCP-K) | ||||||||||
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| Issue or Number: | 66 | ||||||||||
| DOI: | 10.1016/j.ijhydene.2022.06.150 | ||||||||||
| Record Number: | CaltechAUTHORS:20220711-653040000 | ||||||||||
| Persistent URL: | https://resolver.caltech.edu/CaltechAUTHORS:20220711-653040000 | ||||||||||
| Official Citation: | Wugang Wang, Soonho Kwon, Lai Xu, William A. Goddard, Unraveling the capacitive effect in the vacancy-heterostructure WTe2/MoTe2 for hydrogen evolution reaction by the grand canonical potential kinetics, International Journal of Hydrogen Energy, 2022, , ISSN 0360-3199, https://doi.org/10.1016/j.ijhydene.2022.06.150. | ||||||||||
| Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | ||||||||||
| ID Code: | 115469 | ||||||||||
| Collection: | CaltechAUTHORS | ||||||||||
| Deposited By: | George Porter | ||||||||||
| Deposited On: | 12 Jul 2022 14:03 | ||||||||||
| Last Modified: | 12 Oct 2022 03:12 |
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