On the electrostatic potential profile in biased molecular wires

2019-07-11 11:55:50

structure potential molecular contacts wires

责任者: Nitzan, Abraham;Galperin, Michael;Ingold, Gert-Ludwig;Grabert, Hermann 单位: School of Chemistry, The Sackler Faculty of Science, Tel Aviv University, Tel Aviv, 69978, Israel 来源出处: Journal of Chemical Physics,2002,117(23):10837-10841 摘要: The potential distribution along molecular wires in biased molecular junctions was determined in principle by the detailed electronic structure of the wire and by the response of this structure to the molecular-lead contacts and to the bias. Wire thickness was determined as one of two generic attributes that largely determine the way the potential drops along the wire. 关键词: Molecules;Electrostatics;Fermi surface;Electron transitions;Metals;Electric contacts;Quantum theory;Nanostructured materials;Current voltage characteristics;Calculations;Electronic structure;Mathematical models;Carrier concentration;Electrostatic potential;Molecular wires;Molecular junction;Thomas Fermi type screening model;Molecule metal contacts;Quantum calculations