DFT study for hydrogen storage on γ-Boron-Graphyne decorated with Li atoms

Author:

Isidro-Ortega Frank J.,Arellano J.S.,Torres-Gómez Nayely,González-Ruíz Abraham,Vera-Garcia Armando

Funder

Consejo Mexiquense de Ciencia y Tecnología

Consejo Nacional de Ciencia y Tecnología

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference51 articles.

1. G.S. Walker, Solid-state hydrogen storage Materials and chemistry, Woodhead Publishing, Cambridge England, 2008.

2. Hydrogen Storage in Novel Organometallic Buckyballs;Zhao;Phys. Rev. Lett.,2005

3. “DOE Technical Targets for Onboard Hydrogen Storage for Light-Duty Vehicles | Department of Energy.” [Online]. Available: https://www.energy.gov/eere/fuelcells/doe-technical-targets-onboard-hydrogen-storage-light-duty-vehicles [accessed: 11-Jan-2022].

4. Insights from theoretical calculations on structure, dynamics, phase behavior and hydrogen sorption in nanoporous metal organic frameworks;Mani-biswas;Comput. Theor. Chem.,2012

5. Molecular simulation of hydrogen storage in ion-exchanged Mazzite and Levyne zeolites;Liang;Comput. Theor. Chem.,2012

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