در این تحقیق اتصال پپتیدی نانولوله به صفحات گرافن مورد بررسی قرار گرفته است. از میان جنبه های مختلف قابل بررسی برای این ساختارها، مطالعات ساختاری، مطالعات مربوط به انرژی تشکیل پیوند، مطالعاتnmr) )neuclear magnetic resonance و nuclear quadrupole resonance (nqr)و molecular electrostatic potential (mep)، مطالعات مربوط به شکاف انرژی (band gap)هریک از این هیبریدهای نانولوله - گرافن و همچنین بررسی ان...

In this research, we have studied the photonic band structure, optical properties and thermal emission spectrum of 2D Silicon photonic crystal with hexagonal structure. The band structure, band gap map and the gap size versus radius have been calculated by plane wave expansion method. The maximum band gap size of TE (TM) polarization and the complete gap size are 51% (20%) and 17% at air hole r...

boron nitride semiconducting zigzag swcnt, $b_{cb}$$n_{cn}$$c_{1-cb-cn}$, as a potential candidate for making nanoelectronic devices was examined. in contrast to the previous dft calculations, wherein just one boron and nitrogen doping configuration have been considered, here for the average over all possible configurations, density of states (dos) was calculated in terms of boron and nitrogen ...