The surface and structural properties of graphite fluoride

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F15%3A33156496" target="_blank" >RIV/61989592:15310/15:33156496 - isvavai.cz</a>
Result on the web
<a href="http://www.sciencedirect.com/science/article/pii/S0008622315300877" target="_blank" >http://www.sciencedirect.com/science/article/pii/S0008622315300877</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.carbon.2015.07.064" target="_blank" >10.1016/j.carbon.2015.07.064</a>

Result language
angličtina
Original language name
The surface and structural properties of graphite fluoride
Original language description
The structural properties of graphite fluoride are not well characterized despite many experimental and theoretical studies. Computational investigations have indicated the existence of several possible stacking sequences for this material, but the methods used were incapable of adequately describing the dispersive interactions between graphite-like layers. We studied the structural and surface properties of graphite fluoride using the random phase approximation method, which provides dispersive (van der Waals) interactions with the correct asymptotic decay. The chair conformation with the AA stacking sequence is predicted to be the most stable structure, having lattice parameters of a = 2.58 angstrom, and c = 5.75 angstrom. The energetic difference between AB and ABC stacking is small, so a statistical ensemble of several stacking arrangements can be expected in graphite fluoride samples. The energy needed for the exfoliation of graphite fluoride into individual CF layers is 190 mJ/m(
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
<a href="/en/project/LO1305" target="_blank" >LO1305: Development of the center of advanced technologies and materials</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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