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  • Variations in the adsorption enthalpies of acetone to few-layer graphene and graphite nanopowders were analyzed as a function of surface coverage. The adsorption enthalpies were measured by inverse gas chromatography at low monolayer coverage levels (0.1-20%). The adsorption enthalpies increased from -13 kca/mol at the lowest coverage to -7.5 kca/mol. We fitted the measured adsorption enthalpies as a function of coverage using a two-state model and estimated the number of high-energy sites on both materials. The graphite powder had seven times more high-energy sites than the few-layer graphene, which explains why the adsorption enthalpies for graphite increased more slowly with increasing coverage. We also performed a theoretical study based on density functional theory calculations using a functional that accounts for dispersive interactions to elucidate the nature of the high-energy adsorption sites. The calculated adsorption enthalpies ranged from -16 to -1 kca/mol while the adsorpTion enthalpy to a plain graphite surface was -9 kca/mol. The high-energy adsorption sites were localized on surface steps and edge-cavities. The adsorption enthalpies at very low coverage therefore corresponded to adsorption on steps and edge cavities, while those measured at coverage levels of similar to 4% or more reflected adsorption to the flat surface. (c) 2014 Elsevier Ltd. All rights reserved.
  • Variations in the adsorption enthalpies of acetone to few-layer graphene and graphite nanopowders were analyzed as a function of surface coverage. The adsorption enthalpies were measured by inverse gas chromatography at low monolayer coverage levels (0.1-20%). The adsorption enthalpies increased from -13 kca/mol at the lowest coverage to -7.5 kca/mol. We fitted the measured adsorption enthalpies as a function of coverage using a two-state model and estimated the number of high-energy sites on both materials. The graphite powder had seven times more high-energy sites than the few-layer graphene, which explains why the adsorption enthalpies for graphite increased more slowly with increasing coverage. We also performed a theoretical study based on density functional theory calculations using a functional that accounts for dispersive interactions to elucidate the nature of the high-energy adsorption sites. The calculated adsorption enthalpies ranged from -16 to -1 kca/mol while the adsorpTion enthalpy to a plain graphite surface was -9 kca/mol. The high-energy adsorption sites were localized on surface steps and edge-cavities. The adsorption enthalpies at very low coverage therefore corresponded to adsorption on steps and edge cavities, while those measured at coverage levels of similar to 4% or more reflected adsorption to the flat surface. (c) 2014 Elsevier Ltd. All rights reserved. (en)
Title
  • The nature of high surface energy sites in graphene and graphite
  • The nature of high surface energy sites in graphene and graphite (en)
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  • The nature of high surface energy sites in graphene and graphite
  • The nature of high surface energy sites in graphene and graphite (en)
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  • RIV/61989592:15310/14:33151761!RIV15-MSM-15310___
http://linked.open...avai/riv/aktivita
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  • P(ED2.1.00/03.0058), P(EE2.3.20.0017), P(GBP208/12/G016), S
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  • JUL
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  • 31739
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  • RIV/61989592:15310/14:33151761
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  • molecules; derivatives; heterogenity; adsorption; desorption; carbon; noncovalent interactions; augmented-wave method; density-functional theory; inverse gas-chromatography (en)
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  • GB - Spojené království Velké Británie a Severního Irska
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  • [1C34DC8EBF82]
http://linked.open...i/riv/nazevZdroje
  • Carbon
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  • 73
http://linked.open...iv/tvurceVysledku
  • Lapčík, Lubomír
  • Otyepka, Michal
  • Pechoušek, Jiří
  • Zbořil, Radek
  • Banáš, Pavel
  • Fargašová, Ariana
  • Otyepková, Eva
  • Lazar, Petr
  • Čépe, Klára
http://linked.open...ain/vavai/riv/wos
  • 000335096300049
issn
  • 0008-6223
number of pages
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  • 10.1016/j.carbon.2014.03.010
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  • 15310
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