Absorption of atomic hydrogen into graphite via the armchair edge: A first principles study

We investigate the absorption behaviors of atomic hydrogen (H) incident on graphite via the armchair edge. DFT-based total-energy calculations performed show the existence of a reaction path where H can enter the region between graphite sheets. A strong trap for H atom exists just above the surface...

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Bibliographic Details
Main Authors: Arboleda, Nelson B., Jr., Kasai, Hideaki
Format: text
Published: Animo Repository 2011
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Online Access:https://animorepository.dlsu.edu.ph/faculty_research/11934
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Institution: De La Salle University
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