Informacja

Drogi użytkowniku, aplikacja do prawidłowego działania wymaga obsługi JavaScript. Proszę włącz obsługę JavaScript w Twojej przeglądarce.

Tytuł pozycji:

Electronic and optical properties of fluorinated graphene within many-body Green's function framework.

Tytuł:
Electronic and optical properties of fluorinated graphene within many-body Green's function framework.
Autorzy:
Wang, Kangli
Shao, Jingjing
Paulus, Beate
Temat:
GREEN'S functions
OPTICAL properties
BETHE-Salpeter equation
ELECTRONIC band structure
OPTICAL spectra
Źródło:
Journal of Chemical Physics; 3/14/2021, Vol. 154 Issue 10, p1-13, 13p
Czasopismo naukowe
In this article, a systematic examination of the electronic and optical properties of partially fluorinated graphene is presented. In order to capture a large variety of fluorination degrees and configurations, different sizes of the supercell combining with various degrees of fluorination are considered. On top of periodic density functional theory, the G0W0 method and the G0W0Γ method within many-body Green's function framework are employed. Including the description of electron–hole interactions, the optical spectra based on the Bethe–Salpeter equation are calculated. Two-sided fluorination with compact fluorination arrangements is energetically most favorable. The fluorination degree has a determined impact on the bandgap value in the system, while the fluorination pattern strongly influences the characteristics of the bands in the electronic structures. Depending on the polarization of the applied electromagnetic field, the optical absorption spectra of the same structure could vary significantly. These interesting results suggest the potential applications of partially fluorinated graphene as optoelectronic materials. [ABSTRACT FROM AUTHOR]
Copyright of Journal of Chemical Physics is the property of American Institute of Physics and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Ta witryna wykorzystuje pliki cookies do przechowywania informacji na Twoim komputerze. Pliki cookies stosujemy w celu świadczenia usług na najwyższym poziomie, w tym w sposób dostosowany do indywidualnych potrzeb. Korzystanie z witryny bez zmiany ustawień dotyczących cookies oznacza, że będą one zamieszczane w Twoim komputerze. W każdym momencie możesz dokonać zmiany ustawień dotyczących cookies