Probing metal-molecule contact at the atomic scale via conductance jumps

被引:7
作者
Pabi, Biswajit [1 ]
Mondal, Debayan [1 ]
Mahadevan, Priya [1 ]
Pal, Atindra Nath [1 ]
机构
[1] SN Bose Natl Ctr Basic Sci, Dept Condensed Matter Phys & Mat Sci, Sect 3,Block JD, Kolkata 700106, India
关键词
TOTAL-ENERGY CALCULATIONS; SINGLE; DYNAMICS; JUNCTION; MAGNETORESISTANCE;
D O I
10.1103/PhysRevB.104.L121407
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Understanding the formation of metal-molecule contact at the microscopic level is the key towards controlling and manipulating atomic-scale devices. Employing two isomers of bipyridine, 4, 4' bipyridine and 2, 2' bipyridine between gold electrodes, here, we investigate the formation of a metal-molecule bond by studying charge transport through single molecular junctions using a mechanically controlled break junction technique at room temperature. While both molecules form molecular junctions during the breaking process, closing traces show the formation of molecular junctions unambiguously for 4, 4' bipyridine via a conductance jump from the tunneling regime, referred to as "jump to molecular contact," being absent for 2, 2' bipyridine. Through statistical analysis of the data, along with molecular dynamics and first-principles calculations, we establish that contact formation is strongly connected with the molecular structure of the electrodes as well as how the junction is broken during the breaking process, providing important insights for using a single molecule in an electronic device.
引用
收藏
页数:8
相关论文
共 50 条
  • [1] Allen M P, 2017, COMPUTER SIMULATION
  • [2] MOLECULAR RECTIFIERS
    AVIRAM, A
    RATNER, MA
    [J]. CHEMICAL PHYSICS LETTERS, 1974, 29 (02) : 277 - 283
  • [3] Single Molecule Magnetoresistance with Combined Antiferromagnetic and Ferromagnetic Electrodes
    Bagrets, Alexei
    Schmaus, Stefan
    Jaafar, Ali
    Kramczynski, Detlef
    Yamada, Toyo Kazu
    Alouani, Mebarek
    Wulfhekel, Wulf
    Evers, Ferdinand
    [J]. NANO LETTERS, 2012, 12 (10) : 5131 - 5136
  • [4] Alternative types of molecule-decorated atomic chains in Au-CO-Au single-molecule junctions
    Balogh, Zoltan
    Makk, Peter
    Halbritter, Andras
    [J]. BEILSTEIN JOURNAL OF NANOTECHNOLOGY, 2015, 6 : 1369 - 1376
  • [5] Precursor configurations and post-rupture evolution of Ag-CO-Ag single-molecule junctions
    Balogh, Zoltan
    Visontai, David
    Makk, Peter
    Gillemot, Katalin
    Oroszlany, Laszlo
    Posa, Laszlo
    Lambert, Colin
    Halbritter, Andras
    [J]. NANOSCALE, 2014, 6 (24) : 14784 - 14791
  • [6] Influence of relativistic effects on the contact formation of transition metals
    Calvo, M. R.
    Sabater, C.
    Dednam, W.
    Lombardi, E. B.
    Caturla, M. J.
    Untiedt, C.
    [J]. PHYSICAL REVIEW LETTERS, 2018, 120 (07)
  • [7] Capozzi B, 2015, NAT NANOTECHNOL, V10, P522, DOI [10.1038/nnano.2015.97, 10.1038/NNANO.2015.97]
  • [8] Effect of anchoring groups on single-molecule conductance: Comparative study of thiol-, amine-, and carboxylic-acid-terminated molecules
    Chen, Fang
    Li, Xiulan
    Hihath, Joshua
    Huang, Zhifeng
    Tao, Nongjian
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2006, 128 (49) : 15874 - 15881
  • [9] Thermal conductance of single-molecule junctions
    Cui, Longji
    Hur, Sunghoon
    Akbar, Zico Alaia
    Klockner, Jan C.
    Jeong, Wonho
    Pauly, Fabian
    Jang, Sung-Yeon
    Reddy, Pramod
    Meyhofer, Edgar
    [J]. NATURE, 2019, 572 (7771) : 628 - +
  • [10] Dynamic bonding of metallic nanocontacts: Insights from experiments and atomistic simulations
    Fernandez, M. A.
    Sabater, C.
    Dednam, W.
    Palacios, J. J.
    Calvo, M. R.
    Untiedt, C.
    Caturla, M. J.
    [J]. PHYSICAL REVIEW B, 2016, 93 (08)