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...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 tautomerization reaction happened in the molecule changes the spatial extensions of the molecular 7c orbitals under the tip, leading to junction conductance switching. Shifting the molecule to locate on different ions also varies the conductance. Tile transport channels of the tautomers on different adsorbed sites are identified.展开更多
文摘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 tautomerization reaction happened in the molecule changes the spatial extensions of the molecular 7c orbitals under the tip, leading to junction conductance switching. Shifting the molecule to locate on different ions also varies the conductance. Tile transport channels of the tautomers on different adsorbed sites are identified.
