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Description
| - 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)
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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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skos:prefLabel
| - 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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skos:notation
| - RIV/61989592:15310/14:33151761!RIV15-MSM-15310___
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - P(ED2.1.00/03.0058), P(EE2.3.20.0017), P(GBP208/12/G016), S
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http://linked.open...iv/cisloPeriodika
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http://linked.open...vai/riv/dodaniDat
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http://linked.open...aciTvurceVysledku
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http://linked.open.../riv/druhVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...titaPredkladatele
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http://linked.open...dnocenehoVysledku
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http://linked.open...ai/riv/idVysledku
| - RIV/61989592:15310/14:33151761
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - molecules; derivatives; heterogenity; adsorption; desorption; carbon; noncovalent interactions; augmented-wave method; density-functional theory; inverse gas-chromatography (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
| - GB - Spojené království Velké Británie a Severního Irska
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
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http://linked.open...in/vavai/riv/obor
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http://linked.open...ichTvurcuVysledku
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http://linked.open...cetTvurcuVysledku
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http://linked.open...vavai/riv/projekt
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http://linked.open...UplatneniVysledku
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http://linked.open...v/svazekPeriodika
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http://linked.open...iv/tvurceVysledku
| - Lapčík, Lubomír
- Otyepka, Michal
- Pechoušek, Jiří
- Zbořil, Radek
- Banáš, Pavel
- Fargašová, Ariana
- Otyepková, Eva
- Lazar, Petr
- Čépe, Klára
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http://linked.open...ain/vavai/riv/wos
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issn
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number of pages
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http://bibframe.org/vocab/doi
| - 10.1016/j.carbon.2014.03.010
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http://localhost/t...ganizacniJednotka
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