Solvent Effects on the Structural, Electronic, Non-Linear Optical and Thermodynamic Properties of Perylene Based on Density Functional Theory
N. M. Sulaiman, L. S. Taura, Abdullahi Lawal, A. S. Gidado & A. Musa · Journal of Materials Science Research and Reviews · 2019
Perylene (C20H12) is an important member of the polycyclic aromatic hydrocarbons (PAHs) that has a wide applications such as organic photovoltaic cells, field effect transistors and biosensors. Optimized bond lengths and bond angles, HOMO-LUMO energy gap, global chemical indices,...
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Research Article