Theoretical interpretation of switching in experiments with single molecules

被引：83

作者：

Seminario, JM ^{[1
]}

Derosa, PA ^{[1
]}

Bastos, JL ^{[1
]}

机构：

[1] Univ S Carolina, Dept Elect Engn, Columbia, SC 29208 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2002年 / 124卷 / 35期

关键词：

D O I：

10.1021/ja0176090

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Identifying the factors that trigger current-switching behavior of single molecules establishes the means by which it may be possible to tailor these molecules to perform as electronic devices. We provide a theoretical interpretation of switching observed in recent experiments with single molecules using quantum chemistry tools. We conclude that the switching observed in the experiment is mostly due to conformational changes and that some charge changes cannot be observed in STM experiments. Copyright © 2002 American Chemical Society.

引用

页码：10266 / 10267

页数：2

共 13 条

[1] Room-temperature negative differential resistance in nanoscale molecular junctions [J].

Chen, J ;

Wang, W ;

Reed, MA ;

Rawlett, AM ;

Price, DW ;

Tour, JM .

APPLIED PHYSICS LETTERS, 2000, 77 (08) :1224-1226

[2] Electron transport through single molecules: Scattering treatment using density functional and green function theories [J].

Derosa, PA ;

Seminario, JM .

JOURNAL OF PHYSICAL CHEMISTRY B, 2001, 105 (02) :471-481

[3] Conductance switching in single molecules through conformational changes [J].

Donhauser, ZJ ;

Mantooth, BA ;

Kelly, KF ;

Bumm, LA ;

Monnell, JD ;

Stapleton, JJ ;

Price, DW ;

Rawlett, AM ;

Allara, DL ;

Tour, JM ;

Weiss, PS .

SCIENCE, 2001, 292 (5525) :2303-2307

[4]

Frisch M.J., 1998, GAUSSIAN 98

[5]

Murray J.S., 1996, Molecular Electrostatic Potentials: Concepts and Applications

[6]

Politzer P., 2013, Chemical Applications of Atomic-Molecular Electrostatic Potentials: Reactivity, Structure, Scattering-Energetics of Organic, Inorganic-Biological Systems

[7]

Scrocco E., 1973, TOP CURR CHEM, V42, P95, DOI [https://doi.org/10.1007/3-540-06399-4_6, DOI 10.1007/3-540-06399-4_6]

[8] Theoretical study of a molecular resonant tunneling diode [J].

Seminario, JM ;

Zacarias, AG ;

Tour, JM .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2000, 122 (13) :3015-3020

[9] Analysis of a dinitro-based molecular device [J].

Seminario, JM ;

Zacarias, AG ;

Derosa, PA .

JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (04) :1671-1683

[10] Theoretical analysis of complementary molecular memory devices [J].

Seminario, JM ;

Zacarias, AG ;

Derosa, PA .

JOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105 (05) :791-795

← 1 2 →