Burrill Daniel J, Lambrecht Daniel S
Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania, USA.
Phys Chem Chem Phys. 2020 Oct 15;22(39):22699-22710. doi: 10.1039/d0cp02645j.
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.
研究了一氧化氮和二氧化氮（NOx）在碗状富勒烯苝并苝和碗烯上的吸附情况。与平面类似物蒄相比，结合能高出1.8倍，这证明了碗状富勒烯在气体吸附方面的优势。与先前关于二氧化碳和甲烷吸附的报道一致，NOx的有利结合能与碗状富勒烯的曲率有关。结果表明，沿碗对称轴施加电场会改变碗的曲率，并影响吸附质的结合能，包括使吸附质解吸的可能性。作为概念验证，结果表明，施加不同强度和方向的电场可选择性地控制苝并苝对一氧化氮、二氧化氮和二氧化碳的吸附偏好，这表明了动态可调气体吸附的潜在应用。此外，还证明了通过施加合适的电场强度可以使吸附质解吸，从而能够清洁碗状富勒烯以便再次使用。
