Unveiling the true band gap of fluorographene and its origins by teaming theory and experiment

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15640%2F22%3A73618661" target="_blank" >RIV/61989592:15640/22:73618661 - isvavai.cz</a>
Alternative codes found
RIV/61989100:27740/22:10249752 RIV/61989100:27640/22:10249752
Result on the web
<a href="https://www.sciencedirect.com/science/article/pii/S0169433222004172?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0169433222004172?via%3Dihub</a>
DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Unveiling the true band gap of fluorographene and its origins by teaming theory and experiment
Original language description
Fluorographene is a fully fluorinated derivative of graphene. Unlike graphene, fluorographene is a wide gap semiconductor/insulator that holds great potential for applications requiring two-dimensional dielectric nanomaterials. Despite growing interest and a well-defined structure, the basic questions of fluorographene's band gap nature and value remain a conundrum. Here, we resolve this long-standing issue, demonstrating a direct optical band gap at 5.75 eV by means of diffuse reflectance spectroscopy. The nature of the band gap and the factors contributing to earlier controversies are explained by combining spectroscopic methods, ab initio calculations based on the finite momentum Bethe-Salpeter equation, and structural characterization via x-ray diffraction and Raman scattering. Ab initio calculations complement the experimental results by showing an excitonic peak at 5.65 eV of a Frenkel exciton bound to a single atom. The calculations also reveal that the absorption bands at lower energies arise from the presence of fluorine vacancies in the material, which explains earlier controversies in the literature about the band gap of fluorographene
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
21001 - Nano-materials (production and properties)

Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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