Quantitative Prediction of Charge Mobilities and Theoretical Insight into the Regulation of Site-Specific Trifluoromethylethynyl Substitution to Electronic and Charge Transport Properties of 9,10-Anthraquinone
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DOI: 10.1021/acsomega.2c06591
Abstract: Herein, we systematically studied the electronic and conducting properties of 9,10-anthraquinone (AQ) and its derivatives and discussed the substitute-site effects on their organic field-effect transistor (OFET) properties in detail. Our calculation results show the influence… read more here.
Keywords: charge mobilities; quantitative prediction; charge; prediction charge ... See more keywords
Exploring the electronic and optical properties of anthraquinone derivatives for photovoltaic applications: A computational study
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DOI: 10.1063/5.0249614
Abstract: This study offers a detailed computational analysis of the optoelectronic properties of anthraquinone (AQ) derivatives and their alkyl-substituted variants. Using density functional theory, we examine how the positioning of C3F3 groups affects their electronic, transport,… read more here.
Keywords: electronic optical; anthraquinone derivatives; exploring electronic; properties anthraquinone ... See more keywords