Intermolecular effect in molecular electronics

Li, Rui; Ke, San-Huang; Baranger, Harold U.; Yang, Weitao

doi:10.1063/1.1825377

Cited by 51 publications

(53 citation statements)

References 21 publications

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“…72͒ phenylthiolate SAM layers, 37 pentancene, 31 thione 2-mercatobenzoxazole, 28 diphenyldimethyl dithiol, 26 and other thiol-derived SAMs. 74,75 The strong intermolecular interaction is most likely responsible for the easily observed dispersion of the lowest unoccupied molecular orbitals. What is clearly indicated is that there is a crying need for further structural studies that address the molecular packing as well as registry with the metal substrate under a variety of conditions that include temperature and coverage.…”

Section: Discussionmentioning

confidence: 99%

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Electronic structure and polymerization of a self-assembled monolayer with multiple arene rings

et al. 2006

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Tai, Y.; Zharnikov, M.; and Dowben, Peter A., "Electronic structure and polymerization of a self-assembled monolayer with multiple arene rings" (2006 We find evidence of intermolecular interactions for a self-assembled monolayer ͑SAM͒ formed from a large molecular adsorbate, ͓1,1Ј;4Ј,1Љ-terphenyl͔-4,4Љ-dimethanethiol, from the dispersion of the molecular orbitals with changing wave vector k. With the formation self-assembled molecular ͑SAM͒ layer, the molecular orbitals hybridize to electronic bands, with indications of significant band dispersion of the unoccupied molecular orbitals. The electronic structure is also seen to be dependent upon temperature, and cross linking between the neighbor molecules, indicating that the electronic structure may be subtly altered by changes in molecular conformation and packing.

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Section: Discussionmentioning

confidence: 99%

“…More detailed band structure measurements are surely indicated, as direct molecule-molecule interactions should play a role, even when the number of polyphenyl molecules between two electrodes is limited. 74,75 …”

Section: Comparison Of the Electronic Structure Between Pristine Amentioning

confidence: 99%

Electronic structure and polymerization of a self-assembled monolayer with multiple arene rings

et al. 2006

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“…The scattering matrix can be expanded in Green's function of the molecule (Liu et al 2005) or estimated via superexchange formulation, as described below.…”

Section: Mechanisms Of Charge Transport Through Organic Filmsmentioning

confidence: 99%

The study of charge transport through organic thin films: mechanism, tools and applications

Weiss

Kriebel

Rampi

et al. 2007

Phil. Trans. R. Soc. A.

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In this paper, we discuss the current state of organic and molecular-scale electronics, some experimental methods used to characterize charge transport through molecular junctions and some theoretical models (superexchange and barrier tunnelling models) used to explain experimental results. Junctions incorporating self-assembled monolayers of organic molecules-and, in particular, junctions with mercury-drop electrodes-are described in detail, as are the issues of irreproducibility associated with such junctions (due, in part, to defects at the metal-molecule interface).

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“…15 The role of molecule-molecule interactions in vertical conduction through molecules between metal contacts has also been investigated theoretically. 16,17,18,19,20 To date it has not been feasible experimentally to connect a pair of probes to the two ends of a chain of molecules on silicon so as to measure the lateral transport directly: STM studies of the molecular chains measure vertical transport between the silicon substrate and a single metal tip via the adsorbed molecules. 8,12 However, vertical transport measurements may yield indirect experimental information relevant to lateral transport, particularly if the molecular chain is inhomoge-neous.…”

Section: Introductionmentioning

confidence: 99%

Linear chains of styrene and methylstyrene molecules and their heterojunctions on silicon: Theory and experiment

2005

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We report on the synthesis, STM imaging and theoretical studies of the structure, electronic structure and transport properties of linear chains of styrene and methyl-styrene molecules and their heterojunctions on hydrogen-terminated dimerized silicon (001) surfaces. The theory presented here accounts for the essential features of the experimental STM data including the nature of the corrugation observed along the molecular chains and the pronounced changes in the contrast between the styrene and methyl-styrene parts of the molecular chains that are observed as the applied bias is varied. The observed evolution with applied bias of the STM profiles near the ends of the molecular chains is also explained. Calculations are also presented of electron transport along styrene linear chains adsorbed on the silicon surface at energies in the vicinity of the molecular HOMO and LUMO levels. For short styrene chains this lateral transport is found to be due primarily to direct electron transmission from molecule to molecule rather than through the silicon substrate, especially in the molecular LUMO band. Differences between the calculated position-dependences of the STM current around a junction of styrene and methyl-styrene molecular chains under positive and negative tip bias are related to the nature of lateral electron transmission along the molecular chains and to the formation in the LUMO band of an electronic state localized around the heterojunction.

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Intermolecular effect in molecular electronics

Cited by 51 publications

References 21 publications

Electronic structure and polymerization of a self-assembled monolayer with multiple arene rings

Electronic structure and polymerization of a self-assembled monolayer with multiple arene rings

The study of charge transport through organic thin films: mechanism, tools and applications

Linear chains of styrene and methylstyrene molecules and their heterojunctions on silicon: Theory and experiment

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