بهبود عملکرد ابزارهای الکترونیکی بر پایه پلی تیوفین به روش مهندسی گاف انرژی در حضور گرافین.

نوع مقاله: مقاله پژوهشی کامل

نویسندگان

1 دانشکده فیزیک ، دانشگاه امیرکبیر

2 گروه فیزیک، دانشکده مهندسی انرژی و فیزیک، دانشگاه صنعتی امیرکبیر (پلی تکنیک تهران)، تهران، ایران

چکیده

نظریه تابعی چگالی (DFT) و نظریه اختلال بس ذره‌ای G0W0 به منظور بررسی تغییر خواص الکترونی پلیمر پلی‌تیوفین (PT) در مجاورت گرافین به کار گرفته شدند. نتیجه تحلیل تغییر چگالی بار نسبت به قبل از برهمکنش متقابل، نشان دهنده‌ی شکل-گیری دوقطبی الکتریکی قوی و جذب از نوع فیزیکی در سطح می‌باشد. تغییر پتانسیل الکتریکی محاسبه شده نشان‌دهنده‌ی تغییر تابع کار به مقدار از مقدار اولیه آن است. نتایج به دست آمده ازDFT تغییری را در گاف انرژی پلیمر نشان نمی‌دهند، در حالی که تغییر گاف انرژی در مجاورت گرافین نسبت به زنجیره منفرد که از نتایج نظریه اختلال بس‌ذره‌ای G0W0 به دست آمده است چشمگیر است.

کلیدواژه‌ها

موضوعات


عنوان مقاله [English]

Improvement of performance of electronic devices based on polythiophane using band gap engineering in the presence of graphene.

نویسنده [English]

  • seyedmostafa monavari 2
2 Department of Physics, Faculty of Science, Amirkabir University (Tehran Polytechnic), Tehran, Iran
چکیده [English]

Density functional theory (DFT) and many body perturbation theory at the G0W0 level were used to investigate the change of the electron properties of Polythiophene (PT) polymer in the vicinity of graphene. The result of the analysis of the change in the density of the load compared to the pre-mutual interaction indicates a strong electric bipolarity and an absorption of the physical type at the surface. The change in the calculated electrical potential indicates the change in the work function to the value of its initial value . The results from the DFT do not show a change in the polymeric energy gap, while graphene energy gap changes from the isolated chain obtained from the results of the many body perturbation theory at the G0W0 level.

کلیدواژه‌ها [English]

  • Work function
  • Band structure
  • Physisorption
  • Electron charge density
  • Electric bipolarity
  • Many body perturbation theory
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