DFT and TD-DFT calculation of new thienopyrazine-based small molecules for organic solar cells

被引：0
|
作者：
Mohamed Bourass
Adil Touimi Benjelloun
Mohammed Benzakour
Mohammed Mcharfi
Mohammed Hamidi
Si Mohamed Bouzzine
Mohammed Bouachrine
机构：
[1] University Sidi Mohamed Ben Abdallah,ECIM/LIMME, Faculty of Sciences Dhar El Mahraz
[2] University Moulay Ismaïl,Equipe d’Electrochimie et Environnement, Faculté des Sciences et Techniques
[3] Centre Régional des Métiers d’Education et de Formation,ESTM, (LASMAR)
[4] University Moulay Ismaïl,undefined
来源：
Chemistry Central Journal | / 10卷
关键词：
π-conjugated molecules; Thienopyrazine derivatives; Organic solar cells; TD-DFT; Optoelectronic properties; Voc (open circuit voltage);
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [1] DFT and TD-DFT calculation of new thienopyrazine-based small molecules for organic solar cells
    Bourass, Mohamed
    Benjelloun, Adil Touimi
    Benzakour, Mohammed
    Mcharfi, Mohammed
    Hamidi, Mohammed
    Bouzzine, Si Mohamed
    Bouachrine, Mohammed
    CHEMISTRY CENTRAL JOURNAL, 2016, 10
  • [2] DFT and TD-DFT design of small π-conjugated molecules with narrow band gap and high efficiency for organic solar cells
    Mestiri, Tarek
    Alimi, Kamel
    THEORETICAL CHEMISTRY ACCOUNTS, 2018, 137 (10)
  • [3] DFT and TD-DFT design of small π-conjugated molecules with narrow band gap and high efficiency for organic solar cells
    Tarek Mestiri
    Kamel Alimi
    Theoretical Chemistry Accounts, 2018, 137
  • [4] Developing small molecule-based donor materials for organic solar cells: a DFT/TD-DFT insight
    Rehman, F.
    Sajid, M.
    Batool, H. S.
    Ali, K.
    Fatima, E.
    Bakar, S. A.
    Javed, Y.
    INDIAN JOURNAL OF PHYSICS, 2025,
  • [5] DFT and TD-DFT studies of new pentacene-based organic molecules as a donor material for bulk-heterojunction solar cells
    İskender Muz
    Mustafa Kurban
    Mehmet Dalkilic
    Journal of Computational Electronics, 2020, 19 : 895 - 904
  • [6] DFT and TD-DFT studies of new pentacene-based organic molecules as a donor material for bulk-heterojunction solar cells
    Muz, Iskender
    Kurban, Mustafa
    Dalkilic, Mehmet
    JOURNAL OF COMPUTATIONAL ELECTRONICS, 2020, 19 (03) : 895 - 904
  • [7] Theoretical design of new small molecules with a low band-gap for organic solar cell applications: DFT and TD-DFT study
    Taouali, W.
    Casida, Mark E.
    Darghouth, Ala Aldin M. H. M.
    Alimi, K.
    COMPUTATIONAL MATERIALS SCIENCE, 2018, 150 : 54 - 61
  • [8] DFT and TD-DFT study of novel triphenylamine based organic dyes for dye-sensitized solar cells
    Slimi, Ahmed
    Hachi, Mohamed
    Fitri, Asmae
    Benjelloun, Adil Touimi
    Benzakour, Mohammed
    Mcharfi, Mohammed
    2020 5TH INTERNATIONAL CONFERENCE ON RENEWABLE ENERGIES FOR DEVELOPING COUNTRIES (REDEC), 2020,
  • [9] Computational studies of diindole-based molecules for organic bulk heterojunction solar devices using DFT and TD-DFT calculations
    Fei, Elly Tan Li
    Biswas, Joydeep
    Datta, Bandita
    Kumar, Dhruva
    STRUCTURAL CHEMISTRY, 2021, 32 (05) : 1973 - 1984
  • [10] New organic dye-sensitized solar cells based on the D-A-π-A structure for efficient DSSCs: DFT/TD-DFT investigations
    Azaid, Ahmed
    Raftani, Marzouk
    Alaqarbeh, Marwa
    Kacimi, Rchid
    Abram, Tayeb
    Khaddam, Youness
    Nebbach, Diae
    Sbai, Abdelouahid
    Lakhlifi, Tahar
    Bouachrine, Mohammed
    RSC ADVANCES, 2022, 12 (47) : 30626 - 30638
12345