The nature of high surface energy sites in graphene and graphite

Kód výsledku v IS VaVaI

RIV/61989592:15310/14:33151761 - isvavai.cz

Výsledek na webu

http://www.sciencedirect.com/science/article/pii/S0008622314002528

DOI - Digital Object Identifier

10.1016/j.carbon.2014.03.010

Jazyk výsledku

angličtina

Název v původním jazyce

The nature of high surface energy sites in graphene and graphite

Popis výsledku v původním jazyce

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 densityfunctional 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 adsorpT

Název v anglickém jazyce

The nature of high surface energy sites in graphene and graphite

Popis výsledku anglicky

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 densityfunctional 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 adsorpT

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2014

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Carbon

ISSN

0008-6223

e-ISSN

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Svazek periodika

73

Číslo periodika v rámci svazku

JUL

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

5

Strana od-do

448-453

Kód UT WoS článku

000335096300049

EID výsledku v databázi Scopus

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