Enhanced hydrogen storage of alkaline earth metal-decorated Bn (n = 3–14) nanoclusters: a DFT study

Context Boron-based nanostructures hold significant promise for revolutionizing hydrogen storage technologies due to their exceptional properties and potential in efficiently accommodating and interacting with hydrogen molecules. In this paper, boron-based B n ( n = 3–14) nanoclusters decorated with...

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Veröffentlicht in:	Journal of molecular modeling 2024-02, Vol.30 (2), p.55-55, Article 55
Hauptverfasser:	Duraisamy, Parimala devi, S, Prince Makarios Paul, Gopalan, Praveena, Angamuthu, Abiram
Format:	Artikel
Sprache:	eng
Schlagworte:	Adsorption Alkaline earth metals Beryllium Boron Calcium Characterization and Evaluation of Materials Chemistry Chemistry and Materials Science Computer Appl. in Life Sciences Computer Applications in Chemistry computer software Decoration Density functional theory Earth Hydrogen Hydrogen storage Mathematical analysis Molecular Medicine Molecular orbitals Molecular structure Nanoclusters nanoparticles Original Paper quantum mechanics Quantum theory Software Theoretical and Computational Chemistry
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