Searching for DFT-based methods that include dispersion interactions to calculate the physisorption of H2 on benzene and graphene
Author:
Affiliation:
1. Departamento de Física Teórica, Atómica y Óptica, Universidad de Valladolid, 47011 Valladolid, Spain
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference94 articles.
1. Determination of the Adsorption Isotherms of Hydrogen on Activated Carbons above the Critical Temperature of the Adsorbate over Wide Temperature and Pressure Ranges
2. Nanoporous carbide-derived carbon with tunable pore size
3. Hydrogen adsorption in microporous alkali-doped carbons (activated carbon and single wall nanotubes)
4. Tailoring of Nanoscale Porosity in Carbide-Derived Carbons for Hydrogen Storage
5. Carbide-Derived Carbons: Effect of Pore Size on Hydrogen Uptake and Heat of Adsorption
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