Disordered T-shaped graphene nanodevice (TGN) was designed and studied in this paper. We demonstrated the intrinsic transport properties of the TGN by using Landauer approach. Knowing the transmission probability of an electron the current through the system is obtained using Landauer-Buttiker formalism. The effects of single disorder on conductance, current and on the transport length scales a...

The derivative discontinuity is a key concept in electronic structure theory in general and density functional theory in particular. The electronic energy of a quantum system exhibits derivative discontinuities with respect to different degrees of freedom that are a consequence of the integer nature of electrons. The classical understanding refers to the derivative discontinuity of the total en...

Discontinuous changes in the electronic structure upon infinitesimal changes to the Hamiltonian are demonstrated. These are revealed in one and two electron molecular systems by full configuration interaction (FCI) calculations when the realm of the nuclear charge is extended to be fractional. FCI electron densities in these systems show dramatic changes in real space and illustrate the transfe...

Graphene nanoribbons based electronic devices present many interesting physical properties. We designed and investigated the spin-dependent electron transport of a device configuration, which is easy to be fabricated, with an oxygen-terminated ZGNR central scatter region between two hydrogen-terminated ZGNR electrodes. According to the analysis based on non-equilibrium Green's function and dens...

the electrocatalysis of the oxygen reduction reaction (orr) on carbon supportedpt-v (1:1) catalyst in polymer electrolyte fuel cells (pefc) was investigated. atan oxygen pressure of one atm an enhanced electrocatalytic property of pt-v/ccompared with pt/c is revealed. these results indicate the occurrence of adifferent electrocatalytic mechanism for the orr on pt/c and pt-v/c. anincrease of mas...