Please use this identifier to cite or link to this item: http://dspace.iitrpr.ac.in:8080/xmlui/handle/123456789/3217
Title: Sequential desorption energy of hydrogen from nickel clusters
Authors: Deepika
R, K. R.
Kumar, T. J. D.
Kumar, R.
Keywords: first-principles calculations
adsorption/ desorption
Nickel clusters
Hydrogen storage
Issue Date: 22-Nov-2021
Abstract: We report reversible Hydrogen adsorption on Nickel clusters, which act as a catalyst for solid state storage of Hydrogen on a substrate. First-principles technique is employed to investigate the maximum number of chemically adsorbed Hydrogen molecules on Nickel cluster. We observe a maximum of four Hydrogen molecules adsorbed per Nickel atom, but the average Hydrogen molecules adsorbed per Nickel atom decrease with cluster size. The dissociative chemisorption energy per Hydrogen molecule and sequential desorption energy per Hydrogen atom on Nickel cluster is found to decrease with number of adsorbed Hydrogen molecules, which on optimization may help in economical storage and regeneration of Hydrogen as a clean energy carrier.
URI: http://localhost:8080/xmlui/handle/123456789/3217
Appears in Collections:Year-2015

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