765 citations · 6.2k across the 83 of their papers we have counts for
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Gating of a molecular transistor: Electrostatic and Conformational
Avik W. Ghosh, Titash Rakshit, Supriyo Datta
We derive a general result that can be used to evaluate and compare the transconductance of different field-effect mechanisms in molecular transistors, both electrostatic and confo…
Resistance of a Molecule
Magnus Paulsson, Ferdows Zahid, Supriyo Datta
In recent years, several experimental groups have reported measurements of the current-voltage (I-V) characteristics of individual or small numbers of molecules. Our purpose in thi…
Charge transfer in molecular conductors -- oxidation or reduction?
Avik W. Ghosh, Ferdows Zahid, Supriyo Datta +1
We discuss the nature of charge transfer in molecular conductors upon connecting to two metallic contacts and imposing a voltage bias across them. The sign of the charge transfer (…
First-Principles Analysis of Molecular Conduction Using Quantum Chemistry Software
Prashant Damle, Avik W. Ghosh, Supriyo Datta
We present a rigorous and computationally efficient method to do a parameter-free analysis of molecular wires connected to contacts. The self-consistent field approach is coupled w…
Current-voltage Characteristics of Molecular Conductors: Two versus Three Terminal
Prashant Damle, Titash Rakshit, Magnus Paulsson +1
This paper addresses the question of whether a ``rigid molecule'' (one which does not deform in an external field) used as the conducting channel in a standard three-terminal MOSFE…
Insights into molecular conduction from I-V asymmetry
Avik W. Ghosh, Ferdows Zahid, Prashant S. Damle +1
We investigate the origin of asymmetry in the measured current-voltage (I-V) characteristics of molecules with no inherent spatial asymmetry. We establish that such molecules can e…