Experimental and computational study of triphenylamine dyes for photovoltaic cell applications

被引:3
作者
Aboulouard, Abdelkhalk [1 ,2 ]
Altunkum, Dilara [2 ]
Babur Sas, Emine [3 ]
Bensemlali, Meryem [4 ]
Can, Mustafa [2 ]
Nasrellah, Hamid [4 ,5 ]
El Idrissi, Mohammed [6 ]
机构
[1] Sultan Moulay Slimane Univ, Dept Phys, Beni Mellal 23000, Morocco
[2] Izmir Katip Celebi Univ, Fac Engn & Architecture, Dept Engn Sci, TR-35620 Cigli, Izmir, Turkiye
[3] Kirsehir Ahi Evran Univ, Vocat Sch Tech Sci, Kirsehir, Turkiye
[4] Chouaib Doukkali Univ, Fac Sci, LCOBE, El Jadida 24000, Morocco
[5] Chouaib Doukkali Univ, Higher Sch Educ & Training, El Jadida 24000, Morocco
[6] Sultan Moulay Slimane Univ, Polydisciplinary Fac, TCPAM, Beni Mellal 23000, Morocco
关键词
ELECTRON-TRANSFER; EFFICIENCY; DENSITY; FUNCTIONALS; DFT;
D O I
10.1051/epjap/2023220283
中图分类号
O59 [应用物理学];
学科分类号
摘要
We investigate a new family of the triphenylamine dyes by the help of quantum physics computations relaying on density functional theory (DFT) including time dependent-density functional theory (TD-DFT) calculations. We examine the distributions of molecular orbitals, the light collection efficiency, the absorption properties, the oscillator forces, the electronic excitation energy, and the injection driving forces. Among others, we reveal that the organic dyes involve a narrow band gap and good optical behaviors. Moreover, we approach the photovoltaic features of such novel materials. We find that they exhibit the capacity to inject the electrons into the conduction band. We expect that the obtained results could support the applications of such materials in solar energy productions.
引用
收藏
页数:7
相关论文
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