کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
187188 459637 2013 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Stark effect on vibration frequencies of sulfate on Pt(1 1 1) electrode
موضوعات مرتبط
مهندسی و علوم پایه مهندسی شیمی مهندسی شیمی (عمومی)
پیش نمایش صفحه اول مقاله
Stark effect on vibration frequencies of sulfate on Pt(1 1 1) electrode
چکیده انگلیسی

Stark effect on vibration frequencies of sulfate on Pt(1 1 1) electrode is studied by density functional theory calculations on a neutral surface model under a homogeneous external electric field. The calculations indicate that the Stark effect is dominated by the classical electrostatic interaction of the dipole moment of sulfate with the external electric field. The large potential-dependence of the S–O (uncoordinated) vibration mode, which was observed at 1250 cm−1 by infrared reflection absorption spectroscopy (IRAS), is attributed to its large dynamic dipole moment normal to the surface. The large dynamic dipole moment significantly changes the equilibrium S–O (uncoordinated) bond distance in the external electric field, which results in the significant change in the vibration frequency.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Electrochimica Acta - Volume 101, 1 July 2013, Pages 254–261
نویسندگان
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