Electron Transport Characteristics of the Dimeric 1,4‐Benzenedithiol Junction

Abstract

Understanding the electron transport between single molecules connected through weak interaction is of great importance for molecular electronics. In this paper, we report measurements of the conductivity of the dimeric 1,4-benzenedithiol (BDT) junction using the scanning tunneling microscopy (STM)-based current-displacement I(s) method. The conductance was measured to be 6.14×10(-6) G0 , a value almost two orders of magnitude lower than that of the monomer BDT junction. In control experiments, the probability of junction formation decreased with the presence of tris(2-chloroethyl) phosphate (TCEP), a reducing reagent for the disulfide bond. According to theoretical computations, the dihedral angle of the SS bond tends to take a perpendicular conformation. This non-conjugated structure localizes the electron distribution and accounts for the low conductivity of the disulfide linkage.

Electrical and SERS detection of disulfide-mediated dimerization in single-molecule benzene-1,4-dithiol junctions

“…Under ambient conditions, it has been demonstrated that BDT can convert to dimeric-BDT spontaneously as a result of oxidative dimerization. 41 We estimated the effective conductive length of a dimeric-BDT molecule through density functional theory (DFT) calculation. As shown in Fig.…”

Electrochemical Modification and Characterization of Topological Insulator Single Crystals

“…As can be seen from Figure S2, PT is much less effective at protecting the surface from oxidation than PDT. Alkanedithiols can polymerize spontaneously in vapor; , hence, the reason that PDT is so effective in preventing oxidization may be that it forms a relatively thick layer on adsorption because of polymerization.…”

NEGF-DFT Study on Tuning Electrical Conductivity of Benzene-1, 4-dithiol

“…Benzene-1,4-dithiol (M0) is considered as a good example to investigate electron transport and functionality of molecular junctions in the field of organic electronics. Both experiment [1][2][3][4] and theory [5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20] have been interested in reporting and understanding electron transport properties of M0 and its derivatives. For instance, Reed et al, 1 measured the I-V characteristics of M0 using the mechanically controllable break junction.…”

“…The non-equilibrium Green functions combined with the density functional theory (NEGF-DFT) [5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20] reported electron transport through M0 with regard to its structures and derivatives, nature of electrode and anchors. Seminario et al, 5 studied the effect of electrode nature on conductance of M0.…”

“…Tuning electrical conductivity of a given molecule could be achieved through a various means such as constitutional isomery 10 , oligomerization [11][12][13] and anchors 5,[14][15][16][17] . Cheng et al, 10 studied the isomery effect on the electron transport through M0.…”