کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5363018 1388296 2010 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Interaction of bathocuproine with metals (Ca, Mg, Al, Ag, and Au) studied by density functional theory
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Interaction of bathocuproine with metals (Ca, Mg, Al, Ag, and Au) studied by density functional theory
چکیده انگلیسی

Electronic structure of the interface between a bathocuproine (BCP) molecule and metal surface was studied by density functional theory. The bond energy of BCP with metal surface increased with decreasing work function of metals, that is, Au, Ag, Al, Mg, and Ca in this order. The charge transfer also increased with decreasing metal work function. It was analyzed that the Fermi level and the lowest unoccupied molecular orbital of BCP are composed of both BCP and metal orbital component, and electron transport properties across the BCP and metal is discussed based on these analyses.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Applied Surface Science - Volume 256, Issue 9, 15 February 2010, Pages 2661-2667
نویسندگان
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