{"id":3405,"date":"2026-08-26T11:14:02","date_gmt":"2026-08-26T11:14:02","guid":{"rendered":"https:\/\/en.ihcoedu.uobaghdad.edu.iq\/?p=3405"},"modified":"2026-08-26T11:19:27","modified_gmt":"2026-08-26T11:19:27","slug":"physics-department-discusses-masters-thesis-on-the-theoretical-study-of-charge-transfer-reaction-rates-in-indoline-dye-contacting-tio-e2-82-82-semiconductor","status":"publish","type":"post","link":"https:\/\/en.ihcoedu.uobaghdad.edu.iq\/?p=3405","title":{"rendered":"Physics Department Discusses Master\u2019s Thesis on the Theoretical Study of Charge Transfer Reaction Rates in Indoline Dye Contacting TiO\u2082 Semiconductor"},"content":{"rendered":"

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The Department of Physics discussed a Master\u2019s thesis in the field of Pure Sciences submitted by Mohammed Hadi Mahdi Ahmed, entitled:<\/strong><\/p>\n

\u201cA Theoretical Study of the Charge Transfer Reaction Rate in Indoline Dye Contacting TiO\u2082 Semiconductor.\u201d<\/strong><\/p>\n

The thesis was supervised by Professor Dr. Hadi Jabbar Majeebal and examined by an academic committee comprising Professor Dr. Samira Ahmed Ibrahim, Chair; Assistant Professor Dr. Ronaq Qais Ghadban, Member; Assistant Professor Dr. Nisan Saud Oraibi, Member; and Professor Dr. Hadi Jabbar Majeebal, Member and Supervisor.<\/strong><\/p>\n

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The study aimed to develop a theoretical approach for investigating electron-transfer probability and charge-transfer reaction rates in dye-sensitized solar cells (DSSCs) based on D102 indoline dye and titanium dioxide (TiO\u2082) semiconductor, using quantum transport theory to investigate electron transfer between the dye and semiconductor.<\/strong><\/p>\n

The study also aimed to investigate the effects of the surrounding medium, particularly different solvents, on reorganization energy, coupling strength, and electron-transfer probability, and consequently to evaluate the contact efficiency between D102 dye and the TiO\u2082 semiconductor.<\/strong><\/p>\n

The thesis adopted a theoretical approach to investigate hybrid dye-sensitized solar-cell systems consisting of D102 dye coupled to TiO\u2082 semiconductor and surrounded by different solvents, including dimethoxyethane, dichloromethane, tert-butyl alcohol, 1-butanol, ethanol, and methanol.<\/strong><\/p>\n

The study employed a quantum donor\u2013acceptor scenario to simulate electron transfer from the excited state of D102 dye to the conduction band of the TiO\u2082 semiconductor. Reorganization energy was calculated using a semiclassical approach based on the relevant energy levels of the dye and semiconductor.<\/strong><\/p>\n

MATLAB was used to perform the theoretical calculations and analyze several parameters associated with charge-transfer processes, including reorganization energy, coupling strength, charge-carrier concentration, and electron-transfer probability.<\/strong><\/p>\n

Key Findings<\/strong><\/p>\n

The findings demonstrated that electron-transfer probability is significantly influenced by reorganization energy, coupling strength, charge-carrier concentration, and the properties of the surrounding solvent medium.<\/strong><\/p>\n

The study showed that electron-transfer probability increased with increasing concentration, reaching its highest value at a concentration of 7 \u00d7 10\u00b9\u2078 cm\u207b\u00b3. It also increased with increasing coupling strength, reaching a maximum value of 1.244 \u00d7 10\u207b\u2076 eV, according to the reported results.<\/strong><\/p>\n

The findings indicated that dye-sensitized solar cells exhibited improved performance at higher coupling strength and increased charge-carrier concentration. In particular, a concentration of 7 \u00d7 10\u00b9\u2078 cm\u207b\u00b3 provided a noticeably higher efficiency compared with a concentration of 2 \u00d7 10\u00b9\u2078 cm\u207b\u00b3.<\/strong><\/p>\n

The study also revealed differences in the effects of the investigated solvents on electron-transfer processes. The D102-TiO\u2082 cells showed notable sensitivity to ethanol and methanol compared with some of the other solvents, while dichloromethane (DCM) produced the lowest electron-voltage transfer among the investigated cases.<\/strong><\/p>\n

The results further demonstrated that increasing coupling strength and charge-carrier concentration enhances electron transfer from excited D102 dye molecules to the TiO\u2082 semiconductor. Changes in these parameters can therefore directly influence solar-cell performance and charge-transfer efficiency.<\/strong><\/p>\n

The significance of the study lies in applying theoretical modeling and quantum transport theory to understand charge-transfer mechanisms in dye-sensitized solar cells. This provides a scientific basis for investigating the factors governing electron-transfer processes between organic dyes and semiconductor materials.<\/strong><\/p>\n

The findings contribute to a deeper theoretical understanding of the relationship between reorganization energy, coupling strength, charge-carrier concentration, solvent environment, and the performance of dye-sensitized solar cells. Such knowledge may support future efforts to develop more efficient materials and systems for solar-energy conversion.<\/strong><\/p>\n

The thesis is directly aligned with Sustainable Development Goal 7 (SDG 7): Affordable and Clean Energy, through its investigation of dye-sensitized solar cells and the factors governing electron transfer and solar-energy conversion efficiency.<\/strong><\/p>\n

The research is also closely related to Sustainable Development Goal 9 (SDG 9): Industry, Innovation and Infrastructure, through the application of quantum theory and computational modeling to the investigation of advanced materials and systems with potential applications in renewable-energy technologies.<\/strong><\/p>\n

The study also contributes indirectly to Sustainable Development Goal 13 (SDG 13): Climate Action, as the development of more efficient solar-energy conversion technologies can contribute in the future to greater reliance on renewable energy sources and reduced dependence on conventional energy sources associated with higher carbon emissions.<\/strong><\/p>\n

The thesis highlights the importance of theoretical physics research in supporting the development of renewable-energy technologies by providing deeper insight into the microscopic and quantum processes governing charge transfer within solar cells, thereby contributing to future efforts to improve their performance and efficiency.<\/strong><\/p>\n

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