Hydrogen storage capacity of Si-decorated B80 nanocage: firstprinciples DFT calculation and MD simulation
Subject Areas : Journal of Nanoanalysis
Masoud Darvish Ganji
1
(Department of Nanochemistry, Faculty of Pharmaceutical Chemistry, Pharmaceutical Sciences Branch, Islamic Azad University,
Tehran - Iran (IAUPS))
Nasim Ahmadian
2
(Department of Chemistry, Qaemshahr Branch, Islamic Azad University, Qaemshahr, Iran)
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Abstract :