Bowl-shaped PAHs as gas adsorbents: Hydrogen storage and binding of gaseous pollutants
Understanding the non-covalent interactions of various molecules with bowl-shaped carbon structures at a quantum-chemistry level is important for the design of new materials. In this work, adsorption of three important diatomic molecules (H2, CO, and HF) on a flat coronene molecule and bowl-shaped P...
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| Main Author: | |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2024-10-01
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| Series: | Results in Surfaces and Interfaces |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2666845924001223 |
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