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Effect of number and position of methoxy substituents on fine-tuning the electronic structures and photophysical properties of designed carbazole-based hole-transporting materials for perovskite solar cells: DFT calculations

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Al-Azhar University – Gaza
Wazzan N.; Safi Z.
Wazzan, Nuha (36155094500); Safi, Zaki (16199979600)
36155094500; 16199979600
2019
Arabian Journal of Chemistry
Effect of number and position of methoxy substituents on fine-tuning the electronic structures and photophysical properties of designed carbazole-based hole-transporting materials for perovskite solar cells: DFT calculations
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Elsevier B.V.
King Abdulaziz University, Chemistry Department, Faculty of Science, P.O. Box 42805, Jeddah, 21589, Saudi Arabia; Al Azhar University-Gaza, Chemistry Department, Faculty of Science, P.O. Box 1277, Gaza, Palestine
Wazzan N., King Abdulaziz University, Chemistry Department, Faculty of Science, P.O. Box 42805, Jeddah, 21589, Saudi Arabia; Safi Z., Al Azhar University-Gaza, Chemistry Department, Faculty of Science, P.O. Box 1277, Gaza, Palestine
N. Wazzan; King Abdulaziz University, Chemistry Department, Faculty of Science, Jeddah, P.O. Box 42805, 21589, Saudi Arabia; email: nwazzan@kau.edu.sa
38
10.1016/j.arabjc.2018.06.014
Carbazole-based hole-transporting materials; Density functional theory; Methoxy substituents; Nonlinear optical properties; Perovskite solar cells
Cost effectiveness; Costs; Design for testability; Electron affinity; Electronic structure; Excited states; Hole mobility; Ionization potential; Molecular orbitals; Nonlinear optics; Optical properties; Perovskite; Perovskite solar cells; Polycyclic aromatic hydrocarbons; Solar cells; Structural properties; Synthesis (chemical); Absorption and emissions; Excited-state geometries; Frontier molecular orbitals; Hole-transporting materials; Methoxy; Non-linear optical properties; Photophysical properties; Power conversion efficiencies; Density functional theory