+ Site Statistics
+ Search Articles
+ PDF Full Text Service
How our service works
Request PDF Full Text
+ Follow Us
Follow on Facebook
Follow on Twitter
Follow on LinkedIn
+ Subscribe to Site Feeds
Most Shared
PDF Full Text
+ Translate
+ Recently Requested

Influence of the number of anchoring groups on the electronic and mechanical properties of benzene-, anthracene- and pentacene-based molecular devices

Influence of the number of anchoring groups on the electronic and mechanical properties of benzene-, anthracene- and pentacene-based molecular devices

Chemphyschem 13(3): 860-868

One of the central issues of molecular electronics (ME) is the study of the molecule-metal electrode contacts, and their implications for the conductivity, charge-transport mechanism, and mechanical stability. In fact, stochastic on/off switching (blinking) reported in STM experiments is a major problem of single-molecule devices, and challenges the stability and reliability of these systems. Surprisingly, the ambiguous STM results all originate from devices that bind to the metallic electrode through a one-atom connection. In the present work, DFT is employed to study and compare the properties of a set of simple acenes that bind to metallic electrodes with an increasing number of connections, in order to determine whether the increasing numbers of anchoring groups have a direct repercussion on the stability of these systems. The conductivities of the three polycyclic aromatic hydrocarbons are calculated, as well as their transmission spectra and current profiles. The thermal and mechanical stability of these systems is studied by pulling and pushing the metal-molecule connection. The results show that molecules with more than one connection per electrode exhibit greater electrical efficiency and current stability.

Please choose payment method:

(PDF emailed within 0-6 h: $19.90)

Accession: 053851874

Download citation: RISBibTeXText

PMID: 22271673

DOI: 10.1002/cphc.201100582

Related references

Substituent effects on the electronic characteristics of pentacene derivatives for organic electronic devices: dioxolane-substituted pentacene derivatives with triisopropylsilylethynyl functional groups. Journal of the American Chemical Society 134(34): 14185-14194, 2012

The anchoring effect on the spin transport properties and I-V characteristics of pentacene molecular devices suspended between nickel electrodes. Physical Chemistry Chemical Physics 16(26): 13191-13208, 2014

Impact of molecular packing on electronic polarization in organic crystals: the case of pentacene vs TIPS-pentacene. Journal of the American Chemical Society 136(17): 6421-6427, 2014

Electronic properties of pentacene versus triisopropylsilylethynyl-substituted pentacene: environment-dependent effects of the silyl substituent. Journal of the American Chemical Society 132(2): 580-586, 2009

Molecular anchoring of anthracene-based copolymers onto carbon nanotubes: enhanced pH sensing. Talanta 74(3): 365-369, 2008

Comparative Study on Single-Molecule Junctions of Alkane- and Benzene-Based Molecules with Carboxylic Acid/Aldehyde as the Anchoring Groups. Nanoscale Research Letters 11(1): 380-380, 2016

Electrical properties and mechanical stability of anchoring groups for single-molecule electronics. Beilstein Journal of Nanotechnology 6: 1558-1567, 2015

Fundamentals of photoelectric effects in molecular electronic thin film devices: Applications to bacteriorhodopsin-based devices. Biosystems 35(2-3): 117-121, 1995

Intramolecular Interaction, Photoisomerization, and Mechanical C-C Bond Dissociation of 1,2-Di(9-anthryl)benzene and Its Photoisomer: A Fundamental Moiety of Anthracene-Based π-Cluster Molecules. Journal of Organic Chemistry 81(5): 2106-2112, 2016

Fullerene-based anchoring groups for molecular electronics. Journal of the American Chemical Society 130(40): 13198-9, 2008

Influence of molecular thermal motion on electronic excitation transport in anthracene crystals. Physical Review. B, Condensed Matter 45(11): 5919-5925, 1992

Data on synthesis and thermo-mechanical properties of stimuli-responsive rubber materials bearing pendant anthracene groups. Data in Brief 9(): 524-529, 2016

Influence of the number and substitution position of phenyl groups on the aggregation-enhanced emission of benzene-cored luminogens. Chemical Communications 51(23): 4830-4833, 2015

Synthesis, electrochemical, and molecular inclusion properties of 'canopied' trinuclear ruthenium complexes with six anchoring groups on an ITO electrode. Dalton Transactions: 4846-4854, 2008