کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1559830 1513891 2016 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Electronic band alignment at CuGaS2 chalcopyrite interfaces
موضوعات مرتبط
مهندسی و علوم پایه سایر رشته های مهندسی مکانیک محاسباتی
پیش نمایش صفحه اول مقاله
Electronic band alignment at CuGaS2 chalcopyrite interfaces
چکیده انگلیسی

Cu-chalcopyrite semiconductors are commonly used as light absorbing materials on solar cell devices. The study of the heterointerfaces between the absorbent and the contact materials is crucial to understand their operation. In this study, band alignments of the heterojunctions between CuGaS2 chalcopyrite and different semiconductors have been theoretically obtained using density functional theory and more advanced techniques. Band alignments have been determined using the average electrostatic potential as reference level. We have found that the strain in the heterointerfaces plays an important role in the electronic properties of the semiconductors employed here. In this work CuAlSe2/CuGaS2 and CuGaS2/ZnSe heterointerfaces show band alignments where holes and electrons are selectively transferred through the respective heterojunctions to the external contacts. This condition is necessary for their application on photovoltaic devices.

Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 121, August 2016, Pages 79–85
نویسندگان
, , , , ,