Multiscale modeling of VOC–graphene nanostructure interactions: designing new sorbents for portable mass spectrometric applications
- 18 October 2023
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of Analytical Atomic Spectrometry
- Vol. 38 (12) , 2691-2702
Abstract
In this study, we conducted an extensive computational investigation using various theoretical approaches to elucidate the molecular-level interactions between ten representative volatile organic compounds and functionalized graphene nanosheets.Keywords
Funding Information
- Ministarstvo Prosvete, Nauke i Tehnološkog Razvoja (451-03-47/2023-01/200125, 451-03-47/2023-01/200358)
- Horizon 2020 Framework Programme (739570, https://doi.org.10.3030/739570, 817732, https://doi.org.10.3030/817732)
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