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

Danilov, Andrey; Kubatkin, Sergey; Kafanov, Sergey; Hedegård, Per; Stuhr‐Hansen, Nicolai; Moth‐Poulsen, Kasper; Bjørnholm, Thomas

doi:10.1021/nl071228o

Cited by 157 publications

(137 citation statements)

References 36 publications

(73 reference statements)

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“…Additionally, the methyl substitution increases the dipole moment per repeat unit und, thus, boosts the net effect of the dipoles. To anchor the SAMs to a Au substrate, we used methylene thiolate, where the methylene serves to decouple the π‐system of the SAM from the extended electronic states in the Au substrate (cf., Figure 3a) 44. For the present proof of principles simulations, we assembled the molecules in a comparatively large unit cell (3 × 2√3) in an upright‐standing position (for further details see Section 4; note that a significant tilt of the molecule would reduce the net effect as for the above‐discussed collective effects only the dipole moment perpendicular to the substrate surface counts).…”

Section: Resultsmentioning

confidence: 99%

A Toolbox for Controlling the Energetics and Localization of Electronic States in Self‐Assembled Organic Monolayers

2015

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Controlling the nature of the electronic states within organic layers holds the promise of truly molecular electronics. To achieve that we, here, develop a modular concept for a versatile tuning of electronic properties in organic monolayers and their interfaces. The suggested strategy relies on directly exploiting collective electrostatic effects, which emerge naturally in an ensemble of polar molecules. By means of quantum‐mechanical modeling we show that in this way monolayer‐based quantum‐cascades and quantum‐well structures can be realized, which allow a precise control of the local electronic structure and the localization of electronic states. Extending that concept, we furthermore discuss strategies for activating spin sensitivity in specific regions of an organic monolayer.

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Section: Resultsmentioning

confidence: 99%

A Toolbox for Controlling the Energetics and Localization of Electronic States in Self‐Assembled Organic Monolayers

2015

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“…Óñïåõè ïîñëåäíåãî äåñÿòèëåòèÿ â îáëàñòè ìîëåêóëÿðíîé ýëåêòðîíèêè, â ïåðâóþ î÷åðåäü, ýêñïåðèìåíòàëüíûå, çàâåðøèëèñü, â ÷àñòíîñ-òè, ñîçäàíèåì îäíîìîëåêóëÿðíîãî îäíîýëåêò-ðîííîãî ïîëåâîãî òðàíçèñòîðà (Single-Molecule Single-Electron Transistor, SM-SET) [1][2][3][4][5][6][7][8][9], ñõå-ìàòè÷åñêè ïîêàçàííîãî íà ðèñ. 1.…”

Section: ââåäåíèåmentioning

confidence: 99%

Quantum-Mechanical Calculation of Single-Electron Field Transistor on Benzene Molecule

Кругляк¹,

Кругляк²

2011

SEMST

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Àííîòàöèÿ. Äèàãðàììà çàðÿäîâîé ñòàáèëüíîñòè îäíîýëåêòðîííîãî ïîëåâîãî òðàíçèñòîðà íà ìîëåêóëå áåíçîëà â êà÷åñòâå ïðîâîäÿùåãî êàíàëà â ðåaeèìå êóëîíîâñêîé áëîêàäû ðàñ-ñ÷èòàíà èç ïåðâûõ ïðèíöèïîâ. Ýíåðãèè èîíèçàöèè ìîëåêóëû âû÷èñëÿëèñü êâàíòîâîìåõà-íè÷åñêè ïî òåîðèè ôóíêöèîíàëà ïëîòíîñòè, âçàèìîäåéñòâèå ìîëåêóëû áåíçîëà ñ åå îêðó-aeåíèåì â ðåàëèñòè÷åñêîé ìîäåëè òðàíçèñòîðà ó÷èòûâàëîñü ñàìîñîãëàñîâàíî. Àíîòàö³ÿ. Ä³àãðàìà çàðÿäîâî¿ ñòàá³ëüíîñò³ îäíîåëåêòðîííîãî ïîëüîâîãî òðàíçèñòîðà íà ìîëåêóë³ áåíçîëó â ÿêîñò³ ïðîâ³äíîãî êàíàëó â ðåaeèì³ êóëîí³âñüêî¿ áëîêàäè ðîçðàõîâàíà ç ïåðøèõ ïðèíöèï³â. Åíåðã³¿ çàðÿäaeàííÿ ìîëåêóëè îá÷èñëþâàëèñÿ ïî êâàíòîâîìåõàí³÷í³é òåîð³¿ ôóíêö³îíàëà ù³ëüíîñò³, âçàºìîä³ÿ ìîëåêóëè ç ¿¿ äîâê³ëëÿì â ðåàë³ñòè÷í³é ìîäåë³ òðàí-çèñòîðà âðàõîâóâàëàñÿ ñàìîóçãîäaeåíî.Êëþ÷îâ³ ñëîâà: ìîëåêóëÿðíà åëåêòðîí³êà, ïîëüîâèé òðàíçèñòîð, êóëîí³âñüêà áëîêàäà, áåíçîë, SET, MS-SET, DFT QUANTUM-MECHANICAL CALCULATION OF SINGLE-ELECTRON FIELD TRANSISTOR ON BENZENE MOLECULE Yu. A. Kruglyak, N. E. KruglyakAbstract. The first-principle methods for calculating the charging molecular energies and charge stability diagram of the benzene molecule single-electron transistor under the Coulomb blockade regime were applied using the density-functional theory for modeling molecular properties and continuum model to describe SET environment as well as a self-consistent approach to treat the interaction between the molecule and the SET environment.

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“…For further reading on the physics of molecule/electrode contacts, on the influence of the contact on molecular energetics and how it impacts electron transport phenomenon in molecular devices, the interested reader can found more in recent review papers [97][98][99]. However, this chemical link acts also as a tunnel barrier for electron transfer between the electrode and the molecule [101]. As a consequence, the conductance of a molecular junction is usually small (typically below 10 -2 G 0 , where G 0 =2e 2 /h=77.5µS is the conductance quantum) [49,51,95,[102][103][104].…”

Section: B At the "Device-like" Levelmentioning

confidence: 99%

Molecular Nanoelectronics

Vuillaume

2010

Proc. IEEE

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Abstract-Molecular electronics is envisioned as a promising candidate for the nanoelectronics of the future. More than a possible answer to ultimate miniaturization problem in nanoelectronics, molecular electronics is foreseen as a possible way to assemble a large numbers of nanoscale objects (molecules, nanoparticules, nanotubes and nanowires) to form new devices and circuit architectures. It is also an interesting approach to significantly reduce the fabrication costs, as well as the energetical costs of computation, compared to usual semiconductor technologies. Moreover, molecular electronics is a field with a large spectrum of investigations: from quantum objects for testing new paradigms, to hybrid molecular-silicon CMOS devices. However, problems remain to be solved (e.g. a better control of the molecule-electrode interfaces, improvements of the reproducibility and reliability, etc…).

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

Cited by 157 publications

References 36 publications

A Toolbox for Controlling the Energetics and Localization of Electronic States in Self‐Assembled Organic Monolayers

A Toolbox for Controlling the Energetics and Localization of Electronic States in Self‐Assembled Organic Monolayers

Quantum-Mechanical Calculation of Single-Electron Field Transistor on Benzene Molecule

Molecular Nanoelectronics

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