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The nonequilibrium Green׳s function technique combined with density functional theory were used to investigate the transport properties of 1,2-bis(5-methyl-[2,2′-bithiophen]-4-yl)cyclopent-1-ene optical molecular switch. Both of its closed and open forms have two S-linkers and translated into the Gold junction with the (111) surfaces. I–V characteristics, differential conductance, on-off ratio, electronic...
The nonequilibrium Green's function approach in combination with density-functional theory is used to perform quantum mechanical calculations of the electron transport properties of furan and thiophene dimmers. Both the molecular systems have two S-linker and translated into the Gold junction with (111) surfaces. The studied molecular junctions at zero bias voltage are HOMO-based junctions and currents...
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