Variability of C-F Bonds Governs the Formation of Specific Structural Motifs in Fluorinated Graphenes

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F19%3A73597730" target="_blank" >RIV/61989592:15310/19:73597730 - isvavai.cz</a>

Výsledek na webu

<a href="https://pubs.acs.org/doi/10.1021/acs.jpcc.9b07552" target="_blank" >https://pubs.acs.org/doi/10.1021/acs.jpcc.9b07552</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jpcc.9b07552" target="_blank" >10.1021/acs.jpcc.9b07552</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Variability of C-F Bonds Governs the Formation of Specific Structural Motifs in Fluorinated Graphenes

Popis výsledku v původním jazyce

Fluorinated graphenes (FGs) are key precursors for the synthesis of many graphene derivatives that significantly expand the application potential of graphene-based materials. The reactivity of FGs is rather surprising because the C-F bond is considered to be one of the strongest single covalent bonds in organic chemistry. However, its strength in FGs varies from 25.6 to 118.2 kcal/mol, depending on the configuration of fluorine ad-atoms. This variability is reflected in the formation of specific structural motifs and topological features during fluorination and defluorination processes; whereas defluorination favors formation of pi-conjugated chains, following the path of the weakest C-F bonds, fluorination is driven both by thermodynamics and stochasticity, leading to diverse fluorination patterns. Individual motifs vary in their electronic structures, having either metallic or semiconducting character. We rationalize the complex 2D chemistry of FGs using empirical rules that predict the structural and underlying electronic/magnetic properties of these materials.

Název v anglickém jazyce

Variability of C-F Bonds Governs the Formation of Specific Structural Motifs in Fluorinated Graphenes

Popis výsledku anglicky

Fluorinated graphenes (FGs) are key precursors for the synthesis of many graphene derivatives that significantly expand the application potential of graphene-based materials. The reactivity of FGs is rather surprising because the C-F bond is considered to be one of the strongest single covalent bonds in organic chemistry. However, its strength in FGs varies from 25.6 to 118.2 kcal/mol, depending on the configuration of fluorine ad-atoms. This variability is reflected in the formation of specific structural motifs and topological features during fluorination and defluorination processes; whereas defluorination favors formation of pi-conjugated chains, following the path of the weakest C-F bonds, fluorination is driven both by thermodynamics and stochasticity, leading to diverse fluorination patterns. Individual motifs vary in their electronic structures, having either metallic or semiconducting character. We rationalize the complex 2D chemistry of FGs using empirical rules that predict the structural and underlying electronic/magnetic properties of these materials.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/EF16_019%2F0000754" target="_blank" >EF16_019/0000754: Nanotechnologie pro budoucnost</a><br>

Návaznosti

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

Rok uplatnění

2019

Kód důvěrnosti údajů

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

Název periodika

Journal of Physical Chemistry C

ISSN

1932-7447

e-ISSN

—

Svazek periodika

123

Číslo periodika v rámci svazku

45

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

8

Strana od-do

27896-27903

Kód UT WoS článku

000497260100068

EID výsledku v databázi Scopus

2-s2.0-85074774168