64 citations · 94 across the 5 of their papers we have counts for
5 papers
A Density Functional Theory Based Electron Transport Study of Coherent Tunneling Through Cyclic Molecules Containing Ru and Os as Redox Active Centers
Xin Zhao, Robert Stadler
In our theoretical study in which we combine a nonequilibrium Green's function (NEGF) approach with density functional theory (DFT) we investigate branched compounds containing Ru…
A Density Functional Theory based study of Electron Transport Through Ferrocene Compounds with Different Anchor Groups in Different Adsorption Configurations of A STM-setup
Xin Zhao, Robert Stadler
In our theoretical study where we combine a nonequilibrium Green's function (NEGF) approach with density functional theory (DFT) we investigate compounds containing a ferrocene moi…
Ternary Bismuthide SrPtBi2: Computation and Experiment in Synergism to Explore Solid-State Materials
Xin Gui, Xin Zhao, Zuzanna Sobczak +4
A combination of theoretical calculation and the experimental synthesis to explore the new ternary compound is demonstrated in the Sr-Pt-Bi system. Since Pt-Bi is considered as a n…
Quantum interference in coherent tunnelling through branched molecular junctions containing ferrocene centers
Xin Zhao, Georg Kastlunger, Robert Stadler
In our theoretical study where we combine a nonequilibrium Green's function (NEGF) approach with density functional theory (DFT) we investigate branched compounds containing ferroc…
Destructive quantum interference in electron transport: A reconciliation of the molecular orbital and the atomic orbital perspective
Xin Zhao, Victor Geskin, Robert Stadler
Destructive quantum interference (DQI) in single molecule electronics is a purely quantum mechanical effect and entirely defined by inherent properties of the molecule in the junct…