. "000335096300049" . "Pechou\u0161ek, Ji\u0159\u00ED" . . "GB - Spojen\u00E9 kr\u00E1lovstv\u00ED Velk\u00E9 Brit\u00E1nie a Severn\u00EDho Irska" . . "P(ED2.1.00/03.0058), P(EE2.3.20.0017), P(GBP208/12/G016), S" . . . "Ban\u00E1\u0161, Pavel" . "Zbo\u0159il, Radek" . "0008-6223" . . . "Carbon" . "RIV/61989592:15310/14:33151761" . "31739" . "Lap\u010D\u00EDk, Lubom\u00EDr" . . . "10.1016/j.carbon.2014.03.010" . . "The nature of high surface energy sites in graphene and graphite"@en . . . . . "molecules; derivatives; heterogenity; adsorption; desorption; carbon; noncovalent interactions; augmented-wave method; density-functional theory; inverse gas-chromatography"@en . "JUL" . "Lazar, Petr" . . "73" . . . . . . . . . "The nature of high surface energy sites in graphene and graphite"@en . "The nature of high surface energy sites in graphene and graphite" . . "RIV/61989592:15310/14:33151761!RIV15-MSM-15310___" . "[1C34DC8EBF82]" . . "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." . "The nature of high surface energy sites in graphene and graphite" . "9"^^ . . "9"^^ . "Otyepkov\u00E1, Eva" . . "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 . "http://www.sciencedirect.com/science/article/pii/S0008622314002528" . "Farga\u0161ov\u00E1, Ariana" . "15310" . . "\u010C\u00E9pe, Kl\u00E1ra" . . . "5"^^ . . . . "Otyepka, Michal" .