التفاصيل البيبلوغرافية
| العنوان: |
Correlating Alkaline Hydrogen Electrocatalysis and Hydroxide Binding Energies on Mo-Modified Ru Catalysts |
| المؤلفون: |
Yuanmeng Zhao (9420448), Dean Wu (4003010), Wei Luo (80175) |
| سنة النشر: |
2022 |
| المجموعة: |
Smithsonian Institution: Digital Repository |
| مصطلحات موضوعية: |
Biophysics, Biochemistry, Genetics, Molecular Biology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, modified ru catalysts, hydroxide binding energies, density functional theory, corresponding reaction mechanisms, combining experimental data, hydrogen oxidation reaction, hydrogen evolution reaction, hydroxide binding energy, remarkable alkaline hor, boosting alkaline hor, hydrogen energy, alkaline electrolytes, water formation, type relationship, theoretical calculations, reversible conversion, much work |
| الوصف: |
Exploring efficient electrocatalysts applied for the hydrogen oxidation reaction (HOR) and the hydrogen evolution reaction (HER) under alkaline electrolytes and fundamentally understanding the corresponding reaction mechanisms are crucial to realizing the reversible conversion of hydrogen energy. Much work has been devoted to boosting alkaline HOR/HER performances by promoting the hydroxide binding energy (OHBE) but little on understanding the correlation between them. Herein, the synthesis of Mo-modified Ru catalysts with an almost identical hydrogen binding energy (HBE) is reported, and the structure–activity correlation during the HOR/HER is studied. By combining experimental data and theoretical calculations, a volcano-type relationship of HOR/HER performance with OHBE values is provided. Density functional theory (DFT) further reveals that the optimal OHBE, together with the decreased reaction energy barrier for water formation/dissociation, contributes to remarkable alkaline HOR/HER performance. |
| نوع الوثيقة: |
article in journal/newspaper |
| اللغة: |
unknown |
| Relation: |
https://figshare.com/articles/journal_contribution/Correlating_Alkaline_Hydrogen_Electrocatalysis_and_Hydroxide_Binding_Energies_on_Mo-Modified_Ru_Catalysts/18409926 |
| DOI: |
10.1021/acssuschemeng.1c07306.s001 |
| الاتاحة: |
https://doi.org/10.1021/acssuschemeng.1c07306.s001 |
| Rights: |
CC BY-NC 4.0 |
| رقم الانضمام: |
edsbas.ADE23D85 |
| قاعدة البيانات: |
BASE |