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Effects of Substrate Relaxation on Adsorption in Pores

✍ Scribed by Hye-Young Kim; Silvina M. Gatica; George Stan; Milton W. Cole


Book ID
106418750
Publisher
Springer US
Year
2009
Tongue
English
Weight
335 KB
Volume
156
Category
Article
ISSN
0022-2291

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Substrate refaxation is shown EO pray an important role in the I : 2 regular chemisorption of hydrogen atoms above alternate carbon atoms in a graphire monolayer. Binding energy, populatioa analysis and electron density maps show that the direct H-C bond is strengthened on relaxation.