El Karkri Anass, El Malki Zakaria, Bouachrine Mohammed, Serein-Spirau Françoise, Sotiropoulos Jean-Marc
Moulay Ismaïl University, MEM, High School of Technology (ESTM) B.P 3103 Toulal 50040 Meknes Morocco
Moulay Ismaïl University, Faculty of Sciences Meknes Morocco.
RSC Adv. 2020 May 18;10(32):18816-18823. doi: 10.1039/d0ra01815e. eCollection 2020 May 14.
In this study, the analysis of microelectronic and photonic structure in a one dimension program [AMPS-1D] has been successfully used to study organic solar cells. The program was used to optimize the performance of organic solar cells based on (carbazole-methylthiophene), benzothiadiazole and thiophene [(Cbz-Mth)-B-T]2 as electron donors, and [6,6]-phenyl-C-butyric acid methyl ester (PCBM) as an electron acceptor. The optoelectronic properties of these dyes were investigated by using the Density Functional Theory DFT/B3LYP/6-31G(d,p) method. We studied the influence of the variation of the thickness of the active layer, the temperature, and the density of the effective states of the electrons and the holes in the conduction and valence bands respectively on the performance of the solar cells based on [(Cbz-Mth)-BT]2-PCBM as a photoactive material, sandwiched between a transparent indium tin oxide (ITO) and an aluminum (Al) electrode. The addition of other thiophene units in the copolymer or the deposition of a layer of PEDOT between the anode (ITO) and the active layer, improves the performances of the cell, especially resulting in a remarkable increase in the value of the power conversion efficiency (PCE).
在本研究中，一维程序[AMPS - 1D]中的微电子和光子结构分析已成功用于研究有机太阳能电池。该程序用于优化基于咔唑 - 甲基噻吩、苯并噻二唑和噻吩[（Cbz - Mth）- B - T]2作为电子供体以及[6,6] - 苯基 - C - 丁酸甲酯（PCBM）作为电子受体的有机太阳能电池的性能。使用密度泛函理论DFT/B3LYP/6 - 31G(d,p)方法研究了这些染料的光电性质。我们分别研究了活性层厚度变化、温度以及导带和价带中电子和空穴的有效态密度对基于[（Cbz - Mth）- BT]2 - PCBM作为光活性材料夹在透明氧化铟锡（ITO）和铝（Al）电极之间的太阳能电池性能的影响。在共聚物中添加其他噻吩单元或在阳极（ITO）和活性层之间沉积一层聚3,4 - 乙撑二氧噻吩（PEDOT）可提高电池性能，特别是导致功率转换效率（PCE）值显著增加。
