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Title: Sequential desorption energy of hydrogen from nickel clusters

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.
Authors:
;  [1] ;  [2] ;  [3]
  1. Department of Physics, Indian Institute of Technology Ropar, Rupnagar-140001 (India)
  2. Indian Institute of Science Education and Research Kolkata, Mohanpur-741246 (India)
  3. Department of Chemistry, Indian Institute of Technology Ropar, Rupnagar-140001 (India)
Publication Date:
OSTI Identifier:
22490432
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1665; Journal Issue: 1; Conference: 59. DAE solid state physics symposium 2014, Tamilnadu (India), 16-20 Dec 2014; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ADSORPTION; ATOMIC CLUSTERS; ATOMS; CATALYSTS; CHEMISORPTION; DESORPTION; HYDROGEN; MOLECULES; NICKEL; OPTIMIZATION; REGENERATION; SOLIDS; SUBSTRATES