Computational Design of the Electronic Response for Volatile Organic Compounds Interacting with Doped Graphene Substrates

Computational Design of the Electronic Response for Volatile Organic Compounds Interacting with Doped Graphene Substrates

Changes in the work function provide a fingerprint to characterize analyte binding in charge transfer-based sensor devices. Hence, a rational sensor design requires a fundamental understanding of the microscopic factors controlling the modification of the work function. In the current investigation,...

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Bibliographic Details
Main Authors: Li Chen, David Bodesheim, Ahmad Ranjbar, Arezoo Dianat, Robert Biele, Rafael Gutierrez, Mohammad Khazaei, Gianaurelio Cuniberti
Format: Article
Language:English
Published: MDPI AG 2024-11-01
Series:Nanomaterials
Subjects:
work function change
surface dipole moment
N-doped graphene
VOCs
adsorption
DFT
Online Access:https://www.mdpi.com/2079-4991/14/22/1778
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