کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1864378 | 1530587 | 2014 | 5 صفحه PDF | دانلود رایگان |
• Electronic transport properties of doped ZRGNRs are investigated.
• Doped ZRGNRs show obviously rectifying behaviors.
• Size of doped ZRGNRs has important effects on rectifying effect.
Rectification performances of rhombic graphene nanoribbons coupled to gold electrodes through thiolate bonds with left and right vertical carbon atoms substituted by one nitrogen or boron atom are analyzed by performing theoretical calculations using a self-consistent ab initio approach that combines the density functional theory with the non-equilibrium Green's function formalism. Increasing the size of graphene nanoribbon markedly improves the rectification effect because of the asymmetric potential profile distribution in rhombic graphene for polarization near the boron and nitrogen atoms.
Journal: Physics Letters A - Volume 378, Issues 11–12, 21 February 2014, Pages 904–908