Khasrw, Farah Sadeq and Al-Agealy, Hadi J. M and Mohsin, Methaq A. R. (2026) Study and Analysis of the Quantum Charge Transfer Rate in Ruthenium Dye RuN3 Contacting Semiconductors. CENTRAL ASIAN JOURNAL OF THEORETICAL AND APPLIED SCIENCE, 7 (3). pp. 123-130. ISSN 2660-5317

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Abstract

In this work, the charge transfer interaction from the donor state in excited ruthenium dye RuN3 to the acceptor state in the semiconductor CdSe was elucidated. The charge transfer rate was calculated using the quantum scenario of charge transfer theory, based on the donor-receiver approach. IN this approach, the injection of the charge from the excited RuN3 dye into the conduction band of CdSe is treated as a quantum transition process subject to the effects of electronic coupling and reorganization energy.The rate of charge transfer in a RuN3-CdSe cell depends greatly on the rearrangement energy, the polarity of the solvent medium, the coupling strength, the distance between the RuN3 dye and CdSe, the atomic density, and the charge concentration. A high reorganization energy increases the probability of charge transfer and reduce reocobination charge , while a low energy increases the rate of charge injection and decreases the rate of transfer. Ethyl alcohol and methyl alcohol were used as polar media to evaluate the effects of the solvent, when in contact with RuN3 with CdSe in the device. Analysis of the reorganization energy and charge transfer rate reveals that RuN3, CdSe, and solvent properties play a crucial role in modifying charge transfer between surfaces under different solvent conditions, coupling strength, and varyied temperatures. The rate of charge transfer increases significantly with increasing temperature, overcoming the activation barrier to inject it into the conduction band of CdSe, as a result of the increased vibrational energy of the molecular system.The charge transfer reaction occurred mainly as a result of the strong bond between the RuN3 dye and CdSe, which led to increased wavefunction overlap at the interface, thus enhancing the electrical transport potential of the RuN3-CdSe device. Based on the results, the overall performance of the RuN3-CdSe device can be improved by optimizing the basic parameters of charge transport, which are governed by fundamental quantum principles, where temperature affects thermal activation, barrier reorganization energy controls, and coupling controls the quantum transport probability.

Item Type:	Article
Subjects:	A General Works > AI Indexes (General)
Depositing User:	admin eprints
Date Deposited:	15 Jun 2026 13:51
Last Modified:	15 Jun 2026 13:51
URI:	http://eprints.umsida.ac.id/id/eprint/16577

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