Trends in the Change in Graphene Conductivity upon Gas Adsorption: The Relevance of Orbital Distortion
- 22 March 2020
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry Letters
- Vol. 11 (7), 2737-2741
- https://doi.org/10.1021/acs.jpclett.0c00379
Abstract
The experimental ability to alter graphene (G) conductivity by single gas-molecule adsorption is promoting the development of ultra high-sensitivity gas detectors, and could ultimately provide novel playground for future nanoelectronics devices. Presently, the underpinning effect is broadly attributed to a variation of G carrier concentration, caused by adsorption-induced Fermi-level shift. By means of first-principle Kubo-Greenwood calculations, here we demonstrate that adsorbate-induced orbital distortion could also lead to small but finite G conductivity changes, even in the absence of Fermi-level shifts. This mechanism enables sound physical interpretation of observed variable sensitivity of G devices to different chemical moieties, and it can be strongly enhanced by means of a suitable Ni substrate, thereby opening new pathways for optimal design of operational nanoscale detectors.Keywords
Funding Information
- Fondazione Cassa di Risparmio di Padova e Rovigo
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