کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
196548 459844 2005 11 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Ab initio derivation of the electronic structure properties across the Cu–Cu2O interface
موضوعات مرتبط
مهندسی و علوم پایه مهندسی شیمی مهندسی شیمی (عمومی)
پیش نمایش صفحه اول مقاله
Ab initio derivation of the electronic structure properties across the Cu–Cu2O interface
چکیده انگلیسی

The interface between the Cu and Cu2O is investigated by means of the density functional theory. Several parameters representing the effects of the electronic structure of the boundary are derived. They show that there exist a continuous chemical bonding across the Cu–Cu2O system. This is not compatible with the usual Schottky barrier model and because of that a new qualitative scheme of the band alignment is proposed. A possible way for a quantitative interpretation of the experimental current–potential data in the framework of the electronic structure concept is considered.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Electrochimica Acta - Volume 50, Issue 21, 1 August 2005, Pages 4297–4307
نویسندگان
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