رضایی صامتی , مهدی
گروه شیمی فیزیک، دانشکده علوم پایه، دانشگاه ملایر، ملایر
[ 1 ] - مطالعه بنیادی برهم کنش گاز N2O بر روی سطوح حالت‌های خالص و آلایش یافته با Si، Ga و SiGa نانو لوله آرمچیر بور فسفید: به روش DFT
In present research, the electrical, structural, quantum and Nuclear Magnetic Resonance (NMR) parameters of interaction of N2O gas on the B and P sites of pristine, Ga-, Si- and SiGa-doped (4,4) armchair models of boron phosphide nanotubes (BPNTs) are investigated by using density functional theory (DFT). For this purpose, seven models for adsorption of N2O gas on the exterior surfaces of BPN...
[ 2 ] - برهم کنش بین گاز 2Fبا حالت خالص و جایگزین شده C3 آرمیچر (4و4) نانو لوله بورن فسفید: مطالعه DFT
In this research, the structure, quantum and NQR (Nuclear quadrupole resonance)parameters of F2 gas adsorption on the pristine and 3C-doped (4,4) armchair models of boron phosphide nanotubes (BPNTs) have been investigated in the framework of density functional theory. For this purpose, at the first step, four models for F2 adsorption on the inner and outer surfaces of pristine and 3C-doped BPNT...
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