scholarly journals Effect of Asymmetric Anchoring Groups on Electronic Transport in Hybrid Metal/Molecule/Graphene Single Molecule Junctions

ChemPhysChem ◽  
2019 ◽  
Vol 20 (14) ◽  
pp. 1830-1836 ◽  
Author(s):  
Chunhui He ◽  
Qian Zhang ◽  
Yinqi Fan ◽  
Cezhou Zhao ◽  
Chun Zhao ◽  
...  
Keyword(s):  
Single Molecule ◽  
Electronic Transport ◽  
Single Molecule Junctions ◽  
Anchoring Groups

Electronic transport, transition-voltage spectroscopy, and the Fano effect in single molecule junctions composed of a biphenyl molecule attached to metallic and semiconducting carbon nanotube electrodes

2014 ◽  
Vol 16 (36) ◽  
pp. 19602-19607 ◽  
Author(s):  
Carlos Alberto Brito da Silva Júnior ◽  
José Fernando Pereira Leal ◽  
Vicente Ferrer Pureza Aleixo ◽  
Felipe A. Pinheiro ◽  
Jordan Del Nero
Keyword(s):  
Carbon Nanotubes ◽  
Carbon Nanotube ◽  
Single Molecule ◽  
Electronic Transport ◽  
Fano Effect ◽  
Single Molecule Junctions ◽  
Transition Voltage ◽  
Transport Transition ◽  
Transition Voltage Spectroscopy

We investigate electronic transport in semiconductor–molecule–metal junctions consisting of a biphenyl molecule attached to a p-doped semiconductor and metallic carbon nanotubes.

Thermoelectricity at the Organic-Inorganic Interface

2010 ◽  
Author(s):  
Shannon Yee ◽  
Jonathan Malen ◽  
Pramod Reddy ◽  
Rachel Segalman ◽  
Arun Majumdar
Keyword(s):  
Single Molecule ◽  
Electronic Transport ◽  
Energy Transport ◽  
Chemical Potential ◽  
Surface States ◽  
Scanning Tunneling ◽  
The Past ◽  
Single Molecule Junctions ◽  
Electronic Conductance ◽  
Inorganic Components

Electronic transport in molecular junctions has been studied through measurements of junction thermopower to evaluate the feasibility of thermoelectric (TE) energy generation using organic-inorganic hybrid materials. Energy transport and conversion in these junctions are heavily influenced by transport interactions at the metal-molecule interface. At this interface the discrete molecular orbitals overlap with continuum electronic states in the inorganic electrodes to create unique energy landscapes that cannot be realized in the organic or inorganic components alone. Over the past decade, scanning probe microscopes have been used to study the electronic conductance of single-molecule junctions[1–5]. Recently, we conducted measurements of junction thermopower using a modified scanning tunneling microscope (STM)[6]. Through our investigations, we have determined: (i) how the addition of molecular substituent groups can be used to predictably tune the TE properties of phenylenedithiol (PDT) junctions[7], (ii) how the length, molecular backbone, and end groups affect junction thermopower[8], and (iii) where electronic transport variations originate[9]. Furthermore, we have recently found that large (10 fold) TE enhancement can be achieved by effectively altering a (noble) metal junction using fullerenes (i.e., C60, PCBM, and C70). We associate the enhancement with the alignment of the frontier orbitals of the fullerene to the chemical potential of the inorganic electrodes. We further found that the thermopower can be predictably tuned by varying the work function of the contacts. This yields considerable promise for altering the surface states at interfaces for enhanced electronic and thermal transport. This paper highlights our work using thermopower as a probe for electronic transport, and reports preliminary results of TE conversion in fullerene-metal junctions.

Single-molecule junctions beyond electronic transport

2013 ◽  
Vol 8 (6) ◽  
pp. 399-410 ◽  
Author(s):  
Sriharsha V. Aradhya ◽  
Latha Venkataraman
Keyword(s):  
Single Molecule ◽  
Electronic Transport ◽  
Single Molecule Junctions

Importance of Direct Metal−π Coupling in Electronic Transport Through Conjugated Single-Molecule Junctions

2012 ◽  
Vol 134 (50) ◽  
pp. 20440-20445 ◽  
Author(s):  
Jeffrey S. Meisner ◽  
Seokhoon Ahn ◽  
Sriharsha V. Aradhya ◽  
Markrete Krikorian ◽  
Radha Parameswaran ◽  
...  
Keyword(s):  
Single Molecule ◽  
Electronic Transport ◽  
Single Molecule Junctions

Theory of the Rectifying Performance in Molecular Device: The Role of Anchoring Groups

2011 ◽  
Vol 181-182 ◽  
pp. 344-347 ◽  
Author(s):  
Cai Juan Xia ◽  
Han Chen Liu ◽  
Ying Tang Zhang
Keyword(s):  
Single Molecule ◽  
Electronic Transport ◽  
Density Functional ◽  
Electrical Response ◽  
Molecular Device ◽  
Functional Theory ◽  
Transmission Coefficients ◽  
External Bias ◽  
Anchoring Groups

The electronic transport of the single molecule via different anchoring groups is studied using density functional theory in conjunction with the nonequilibrium Green’s function. The results show that the electronic transport properties are strongly dependent on the anchoring groups. Asymmetric electrical response for opposite biases is observed resulting in significant rectification in current. The transmission coefficients and spatial distributions of molecular orbitals under various external biases voltage are analyzed, and it suggests that the asymmetry of the coupling between the molecule and the electrodes with external bias leads to rectifying performance.

Electronic transport in biphenyl single-molecule junctions with carbon nanotubes electrodes: The role of molecular conformation and chirality

2010 ◽  
Vol 82 (8) ◽  
Author(s):  
C. A. Brito Silva ◽  
S. J. S. da Silva ◽  
E. R. Granhen ◽  
J. F. P. Leal ◽  
J. Del Nero ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Single Molecule ◽  
Electronic Transport ◽  
Molecular Conformation ◽  
Single Molecule Junctions

Electronic transport and mechanical stability of carboxyl linked single-molecule junctions

2012 ◽  
Vol 14 (40) ◽  
pp. 13841 ◽  
Author(s):  
Seokhoon Ahn ◽  
Sriharsha V. Aradhya ◽  
Rebekka S. Klausen ◽  
Brian Capozzi ◽  
Xavier Roy ◽  
...  
Keyword(s):  
Single Molecule ◽  
Electronic Transport ◽  
Mechanical Stability ◽  
Single Molecule Junctions

scholarly journals Side-group-mediated thermoelectric properties of anthracene single-molecule junction with anchoring groups

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Saeideh Ramezani Akbarabadi ◽  
Hamid Rahimpour Soleimani ◽  
Maysam Bagheri Tagani
Keyword(s):  
Thermoelectric Properties ◽  
Single Molecule ◽  
Figure Of Merit ◽  
Density Functional ◽  
Side Group ◽  
Thermoelectric Efficiency ◽  
Group Position ◽  
Single Molecule Junctions ◽  
Molecule Junction ◽  
Anchoring Groups

AbstractCharge transfer characteristics of single-molecule junctions at the nanoscale, and consequently, their thermoelectric properties can be dramatically tuned by chemical or conformational modification of side groups or anchoring groups. In this study, we used density functional theory (DFT) combined with the non-equilibrium Green’s function (NEGF) formalism in the linear response regime to examine the thermoelectric properties of a side-group-mediated anthracene molecule coupled to gold (Au) electrodes via anchoring groups. In order to provide a comparative inspection three different side groups, i.e. amine, nitro and methyl, in two different positions were considered for the functionalization of the molecule terminated with thiol or isocyanide anchoring groups. We showed that when the anchored molecule is perturbed with side group, the peaks of the transmission spectrum were shifted relative to the Fermi energy in comparison to the unperturbed molecule (i.e. without side group) leading to modified thermoelectric properties of the system. Particularly, in the thiol-terminated molecule the amine side group showed the greatest figure of merit in both positions which was suppressed by the change of side group position. However, in the isocyanide-terminated molecule the methyl side group attained the greatest thermoelectric efficiency where its magnitude was relatively robust to the change of side group position. In this way, different combinations of side groups and anchoring groups can improve or suppress thermopower and the figure of merit of the molecular junction depending on the interplay between charge donating/accepting nature of the functionals or their position.

Electronic Transport in Single Molecule Junctions:  Control of the Molecule-Electrode Coupling through Intramolecular Tunneling Barriers

Nano Letters ◽  
2008 ◽  
Vol 8 (1) ◽  
pp. 1-5 ◽  
Author(s):  
Andrey Danilov ◽  
Sergey Kubatkin ◽  
Sergey Kafanov ◽  
Per Hedegård ◽  
Nicolai Stuhr-Hansen ◽  
...  
Keyword(s):  
Single Molecule ◽  
Electronic Transport ◽  
Single Molecule Junctions
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