کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5463385 | 1517186 | 2017 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical study of optoelectronic and thermodynamic properties of molecule 4-[2-(2-N,N-dihydroxy amino thiophene)vinyl]benzanamine: Influence of hydroxyl position
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
فناوری نانو (نانو تکنولوژی)
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
In this work we have theoretically determined the optoelectronic and thermodynamic properties of the donor-acceptor molecule 4-[2-(2-N,N-dihydroxy amino thiophene)vinyl]benzanamine and study the influence of the position of the hydroxyl group on some of the optoelectronic properties. The results obtained from the B3LYP, B3PW91 and RHF methods by employing the 6â311++Gââ basis set show that 4-[2-(2-N,N-dihydroxy amino thiophene)vinyl]benzanamine and N,N-dihydroxy-4[2-(2-amino thiophene)vinyl]benzanamine are semiconductor materials with good optoelectronic properties and may have applications in thin films, photonics, electronics, optoelectronics, etc. We also observed that the position of the hydroxyl group in the molecules influences their optoelectronic and thermodynamic properties.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Materials Letters - Volume 202, 1 September 2017, Pages 89-95
Journal: Materials Letters - Volume 202, 1 September 2017, Pages 89-95
نویسندگان
F. Tchangnwa Nya, G.W. Ejuh, J.M.B. Ndjaka,