دورية أكاديمية

Computation-guided design and preparation of durable and efficient WC-Mo2C heterojunction for hydrogen evolution reaction

التفاصيل البيبلوغرافية
العنوان: Computation-guided design and preparation of durable and efficient WC-Mo2C heterojunction for hydrogen evolution reaction
المؤلفون: Wei Liu, Xiting Wang, Jiakang Qu, Yongsong Ma, Xianglin Liu, Chunguang Kuai, Yuzheng Guo, Huayi Yin, Dihua Wang
المصدر: Cell Reports Physical Science, Vol 3, Iss 3, Pp 100784- (2022)
بيانات النشر: Elsevier, 2022.
سنة النشر: 2022
المجموعة: LCC:Physics
مصطلحات موضوعية: DFT theoretical calculation, carbides, heterojunction, alkaline HER, Physics, QC1-999
الوصف: Summary: Molybdenum and tungsten carbides (Mo2C and WC) are promising catalysts for hydrogen evolution reaction (HER), but their electrocatalytic activities are still inferior to theoretical predictions. Herein, density functional theory (DFT) calculations imply that WC-Mo2C heterostructure may exert a high HER performance since the hybridization of WC and Mo2C can optimize the proton adsorption energy and energy barrier for water dissociation. To test this predication, we prepare the WC-Mo2C heterostructure on a flexible carbon cloth (CC). The obtained WC-Mo2C@CC exhibits notable HER activity (η10 = 122 mV; η500 = 309 mV) and stability (continuous 100 h at 500 mA cm−2) in alkaline media. Furthermore, a solar-panel-driven electrolyzer, including the WC-Mo2C@CC cathode and a NiFe-LDH@Nif anode, operates at 10 mA cm−2 with a cell voltage of 1.51 V in 10 M KOH at 70°C, demonstrating its potential for practical applications. Overall, this work offers an atomic-level insight into designing advanced carbide HER electrocatalysts.
نوع الوثيقة: article
وصف الملف: electronic resource
اللغة: English
تدمد: 2666-3864
Relation: http://www.sciencedirect.com/science/article/pii/S2666386422000510; https://doaj.org/toc/2666-3864
DOI: 10.1016/j.xcrp.2022.100784
URL الوصول: https://doaj.org/article/9938b136879a4668a5ceea4e0f29fa82
رقم الأكسشن: edsdoj.9938b136879a4668a5ceea4e0f29fa82
قاعدة البيانات: Directory of Open Access Journals
الوصف
تدمد:26663864
DOI:10.1016/j.xcrp.2022.100784