Controlling transistor threshold voltages using molecular dipoles
Smitha Vasudevan, Neeti Kapur, Tao He, Matthew Neurock, James M. Tour, and Avik W. Ghosh

TL;DR
This paper presents a theoretical model demonstrating how organic molecules with dipolar properties can modulate transistor threshold voltages through electrostatic and charge transfer effects at the molecular-semiconductor interface.
Contribution
It introduces a comprehensive theoretical framework combining electrostatics and band alignment to explain molecular control of transistor thresholds.
Findings
Molecular dipoles significantly influence transistor threshold voltages.
Electrostatic and charge transfer effects are key mechanisms in molecular control.
The model predicts how molecular properties affect electronic device behavior.
Abstract
We develop a theoretical model for how organic molecules can control the electronic and transport properties of an underlying transistor channel to whose surface they are chemically bonded. The influence arises from a combination of long-ranged dipolar electrostatics due to the molecular head-groups, as well as short-ranged charge transfer and interfacial dipole driven by equilibrium band-alignment between the molecular backbone and the reconstructed semiconductor surface atoms.
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