Sequential desorption energy of hydrogen from nickel clusters

dc.contributor.author	Deepika
dc.contributor.author	R, K. R.
dc.contributor.author	Kumar, T. J. D.
dc.contributor.author	Kumar, R.
dc.date.accessioned	2021-11-22T06:08:28Z
dc.date.available	2021-11-22T06:08:28Z
dc.date.issued	2021-11-22
dc.identifier.uri	http://localhost:8080/xmlui/handle/123456789/3217
dc.description.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.	en_US
dc.language.iso	en_US	en_US
dc.subject	first-principles calculations	en_US
dc.subject	adsorption/ desorption	en_US
dc.subject	Nickel clusters	en_US
dc.subject	Hydrogen storage	en_US
dc.title	Sequential desorption energy of hydrogen from nickel clusters	en_US
dc.type	Article	en_US