作者: Sriharsha V. Aradhya , Michael Frei , Mark S. Hybertsen , Latha Venkataraman
DOI: 10.1007/978-1-4614-4436-7_12
关键词: Electrode 、 Adiabatic process 、 Chemical physics 、 Density functional theory 、 Atomic units 、 Covalent bond 、 Conductance 、 Resolution (electron density) 、 Molecule
摘要: Measurement of electronics and mechanics single molecules provides a fundamental understanding conductance as well bonding at the atomic scale. To study these length scales, we have built conducting force microscope (AFM) optimized for high displacement resolution. Here, simultaneously measure across Au-molecule-Au junctions in order to obtain complementary information about structure systems. First show that single-atom Au contacts, which G0 (2e2/h), rupture 1.4 nN, excellent agreement with previous theoretical experimental studies. For series amine pyridine linked are bound electrodes through an Au-N donor-acceptor bond, observe depends on backbone chemistry can range from 0.5 0.8 nN. We also formed bind P-Au S-Au interactions. find both signatures junction evolution covalent bond (thiolate) (thiol) dramatically different. Finally, perform density functional theory based adiabatic molecular elongation calculations give us insight into underlying mechanisms experiments.