کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
851367 909314 2012 4 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Phenylazoimidazole as a possible optical molecular switch: An ab initio study
موضوعات مرتبط
مهندسی و علوم پایه سایر رشته های مهندسی مهندسی (عمومی)
پیش نمایش صفحه اول مقاله
Phenylazoimidazole as a possible optical molecular switch: An ab initio study
چکیده انگلیسی

By applying nonequilibrium Green's function formalism combined first-principles density functional theory, we investigate the electronic transport properties of the phenylazoimidazole optical molecular switch. The molecule that comprises the switch can convert between the cis and the trans forms upon photoexcitation. The influence of HOMO–LUMO gaps and the spatial distributions of molecular orbitals on the electronic transport through the molecular device are discussed in detail. Theoretical results show that the current through the trans form is significantly larger than through the cis form, which suggests this system has attractive potential application in future molecular switch technology.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Optik - International Journal for Light and Electron Optics - Volume 123, Issue 14, July 2012, Pages 1307–1310
نویسندگان
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