Computational Study of New Small Molecules based Thiophene as Donor Materials for Bulk Heterojunction Photovoltaic Cells

Autor:	Said, Zouitina, Abdelkhalk, Aboulouard, Ahlam El, Ghazali, Abdessamad, Tounsi, Mohammed El, Idrissi
Rok vydání:	2022
Předmět:	Clinical Psychology Sociology and Political Science Clinical Biochemistry Law Biochemistry Spectroscopy Social Sciences (miscellaneous)
Zdroj:	Journal of Fluorescence. 33:553-563
ISSN:	1573-4994 1053-0509
Popis:	In this research work, we study the structural, optical, electronic, and photovoltaic properties of eight thiophene-based π-conjugated organic molecules using quantum methods namely time-dependent density functional theory. In particular, we identify the relationships between the chemical structure of these π-conjugated organic molecules and their optoelectronic properties. Moreover, we calculate and compare the highest energy occupied molecular orbital and lowest energy unoccupied molecular orbital energy levels of these compounds which act as donor with the ones of the acceptorphenyl-C
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::aed843062e5624786b443f56908f44c9 https://doi.org/10.1007/s10895-022-03077-z Zobrazit plný text záznamu Full text from SpringerLink