کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5421685 | 1507890 | 2015 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Electro-oxidation of water on hematite: Effects of surface termination and oxygen vacancies investigated by first-principles
ترجمه فارسی عنوان
الکترو اکسیداسیون آب در هماتیت: اثر خم شدن سطح و واکنش های اکسیژن بررسی شده توسط اصول اولیه
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
چکیده انگلیسی
The oxygen evolution reaction on hydroxyl- and oxygen-terminated hematite was investigated using first-principle calculations within a theoretical electrochemical framework. Both pristine hematite and hematite containing oxygen vacancies were considered. The onset potential was determined to be 1.79Â V and 2.09Â V vs. the reversible hydrogen electrode (RHE) for the pristine hydroxyl- and oxygen-terminated hematite, respectively. The presence of oxygen vacancies in the hematite surface resulted in pronounced shifts of the onset potential to 3.09Â V and 1.83Â V, respectively. Electrochemical oxidation measurements conducted on thin-film hematite anodes, resulted in a measured onset potential of 1.66Â V vs. RHE. Furthermore, the threshold potential between the hydroxyl- and oxygen-terminated hematite was determined as a function of pH. The results indicate that electrochemical water oxidation on hematite occurs on the oxygen-terminated hematite, containing oxygen vacancies.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Surface Science - Volume 640, October 2015, Pages 45-49
Journal: Surface Science - Volume 640, October 2015, Pages 45-49
نویسندگان
Anders Hellman, Beniamino Iandolo, Björn Wickman, Henrik Grönbeck, Jonas Baltrusaitis,