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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Bibliographic Details
Main Author: I.K. Petrushenko
Format: Article
Language:English
Published: Elsevier 2024-10-01
Series:Results in Surfaces and Interfaces
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2666845924001223
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