Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 32(20), p. 21194-21203
DOI: 10.1039/c8cp02976h
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Influence of hydrogen spillover on Pt-decorated carbon nanocones for enhancing hydrogen storage capacity: A DFT mechanistic study
Journal article published in 2018 by
Nuttapon Yodsin,
Chompoonut Rungnim,
Vinich Promarak,
Supawadee Namuangruk 
,
Nawee Kungwan ,
Rattanawalee Rattanawan,
Siriporn Jungsuttiwong
,
Nawee Kungwan ,
Rattanawalee Rattanawan,
Siriporn Jungsuttiwong
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Abstract
The hydrogen adsorption on platinum (Pt)-decorated carbon nanocenes (CNCs) are investigated by DFT calculations. The Pt is an active site for hydrogen adsorption while curvature of CNC enhances hydrogen uptake via hydrogen migration/diffusion on the C–C surface.