Buckybowls as gas adsorbents: binding of gaseous pollutants and their electric-field induced release

Autor:	Daniel J. Burrill, Daniel S. Lambrecht
Rok vydání:	2020
Předmět:	Materials science Binding energy General Physics and Astronomy Photochemistry Methane Coronene chemistry.chemical_compound Adsorption chemistry Corannulene Sumanene Nitrogen dioxide Physical and Theoretical Chemistry NOx
Zdroj:	Physical Chemistry Chemical Physics. 22:22699-22710
ISSN:	1463-9084 1463-9076
DOI:	10.1039/d0cp02645j
Popis:	The adsorption of nitric oxide and nitrogen dioxide (NOx) to the Buckybowls sumanene and corannulene was investigated. Binding energies were up to 1.8× larger than for coronene as the planar analogue, demonstrating the advantages of Buckybowls for gas adsorption. In agreement with previous reports on carbon dioxide and methane adsorption, the favorable binding energies for NOx were shown to be associated with the curvature of the Buckybowls. It is shown that applying an electric field along the bowl symmetry axis modifies the bowl curvatures and impacts adsorbate binding energies, including the potential to desorb adsorbates. As a proof of concept, it is shown that applying electric fields of different strengths and orientations selectively controls sumanene's preference to bind nitric oxide, nitrogen dioxide, and carbon dioxide, suggesting potential applications for dynamically tunable gas adsorption. Moreover, it is demonstrated that adsorbates can be desorbed by applying suitable electric field strengths, allowing cleaning of the Buckybowls for renewed usage.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e554ecfe10169da7cd3492abd2a9acb1 https://doi.org/10.1039/d0cp02645j Zobrazit plný text záznamu