This work was financially supported by the National Key Research and Development Program(Grant Nos.2017YFB0405703 and 2016YFA0301700);the National Natural Science Foundation of China(Grant No.11474265);and Anhui Initiative in Quantum Information Technologies.We thank the supercomputing service of AM-HPC and the Supercomputing Center of USTC for providing the high-performance computing resources.
We theoretically investigate the conductance fluctuation of two-terminal device in Sierpinski carpets.We find that,for the circular orthogonal ensemble(COE),the conductance fluctuation does not display a universal fea...
This work was financially supported by grant from the National Natural Science Foundation of China (Grant Nos. 11304205 and 11404273) and Shenzhen Natural Science Foundation (No. JCYJ20130326111836781).
First-principles calculations were performed to explore the spin-resolved electronic and thermoelectric transport properties of a series of graphene-nanoribbon-based nanojunctions. By flipping the mag- netic moments i...
We study the electron transport through the double-barrier junction consmte^l o~ tne pn^nalocyamn~ molecule adsorbed on a NaCl bilayer on a metal substrate and the STM tip from first principles. The hydrogen tautomeri...
This work was financially supported by the National Natural Science Foundation of China (NSFC) under Grant Nos. 11674231 and 11504395.
The low conductance of nickel atomic junctions in tile hydrogen environment is studied using the nonequilibrium Green's function theory combined with first-principles calculations. The Ni junction bridged by a H2 mol...
We report theoretical investigations oil tile role of interracial bonding mechanism and its resulting structures to quantum transport in molecular wires. Two bonding mechanisms for the Au-S bond in an Au(111) / 1,4-...