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Al-Azhar University – Gaza
2024
Journal of Molecular Graphics and Modelling
Designed complexes combining brazilein and brazilin with betanidin for dye-sensitized solar cell application: DFT and TD-DFT study
127
Elsevier Inc.
108691
School of Materials, Energy, Water, and Environmental Sciences, The Nelson Mandela African Institution of Science and Technology (NM-AIST), P. O. Box 447, Arusha, Tanzania; Department of Mechanical and Industrial Engineering, Mbeya University of Science and Technology (MUST), P.O. Box 131, Mbeya, Tanzania; Water Infrastructure and Sustainable Energy Futures Centre, Nelson Mandela African Institution of Science and Technology, Arusha, Tanzania; Department of Chemistry, Faculty of Science, King Abdulaziz University, Jeddah, Saudi Arabia; Chemistry Department, Faculty of Science, Al Azhar University - Gaza, P.O Box 1277, Gaza, Palestine; Chemistry Department, Faculty of Science, University of Jeddah, Saudi Arabia; Department of Physical and Environmental Sciences, Faculty of Science, Technology and Environmental Studies, The Open University of Tanzania (OUT), P. O Box 23409, Dar es Salaam, Tanzania
4
10.1016/j.jmgm.2023.108691
Benzopyrans; Betacyanins; Coloring Agents; Density Functional Theory; Ethers; Indenes; Models, Molecular; Solar Energy; Charge transfer; Doppler effect; Dye-sensitized solar cells; Electronic properties; Ethers; Molecular orbitals; Molecules; Photosensitizers; Red Shift; Solar power generation; Titanium dioxide; brazilein betanidin ether; brazilin betanidin ether; brazilin betanidin oxane; pigment; unclassified drug; benzopyran derivative; betacyanin; brazilein; brazilin; coloring agent; ether derivative; indene derivative; Betanidin; Brazilein; Brazilin; Density-functional-theory; Designed complex TD-density functional theory; Dye- sensitized solar cells; Natural pigment; Photovoltaic property; Red-shifted; absorption; absorption spectroscopy; Article; controlled study; density functional theory; electric potential; etherification; sensitization; chemistry; density functional theory; molecular model; solar energy; Density functional theory