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We have performed parameter-free calculations of electron transport across a carbon molecular junction consisting of a C$_{60}$ molecule sandwiched between two semi-infinite metallic carbon nanotubes. It is shown that the Landauer conductance of this carbon hybrid system can be tuned within orders of magnitude not only by varying the tube-C$_{60}$ distance, but more importantly at fixed distances by i) changing the orientation of the Buckminsterfullerene or ii) rotating one of the tubes around its cylinder axis. Furthermore, it is explicitely shown that structural relaxation determines qualitatively the transmission spectrum of such devices.
We present a comprehensive study of the properties of the off-resonant conductance spectrum in oligomer nanojunctions between graphitic electrodes. By employing first-principle-based methods and the Landauer approach of quantum transport, we identify
Recent air pollution issues have raised significant attention to develop efficient air filters, and one of the most promising candidates is that enabled by nanofibers. We explore here selective molecular capture mechanism for volatile organic compoun
Single molecular electrets exhibiting single molecule electric polarization switching have been long desired as a platform for extremely small non-volatile storage devices, although it is controversial because of the poor stability of single molecula
Heat conduction of a real quasi-one dimensional material, the finite length carbon nanowire (CNW), inserted into the single-walled carbon nanotube (SWNT) has been studied by the molecular dynamical (MD) method, in which both of the longitudinal as we
Current-induced control of magnetization in ferromagnets using spin-orbit torque (SOT) has drawn attention as a new mechanism for fast and energy efficient magnetic memory devices. Energy-efficient spintronic devices require a spin-current source wit