Reconnoitring the current characteristics of the double C20 fullerene molecular device in two probe configuration

Abstract

It is worth remarking that the C cage like isomer has been the topic of concentrated theoretical research. C single fullerene molecular devices gained a lot of popularity in the field of nano research due to their superlative doping dependent conductive properties. In this work, the double fullerene device has been considered. Here double fullerene molecular junction is created when two C fullerene molecules, one in pristine form and other in doped form, are positioned between gold electrodes. Doping was done firstly by second period elements, boron, nitrogen, oxygen, and fluorine and then by group 14 tetragens, silicon, germanium, tin, and lead. For both the cases current characteristics were investigated. Superior conductivity was observed in the boron doped double C molecular device while the fluorine doped device was the least conducting. Further for group 14 doping, the silicon doped double C device showed maximum current carrying feature, whereas, least value of current was noted in tin doped C device.

Investigation of transport behavior in borospherene-based molecular wire for rectification applications

“…The HOMO-LUMO gap (HLG) energies for molecular chain are calculated to be D 1 (0. The transmission spectra exploit the molecular orbital energies for applied bias, to find out at which energies electron transfer would be strongest [24]. Figure 3 shows the transmission…”