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Theoretical modelling of novel indandione-based donor molecules for organic solar cell applications 1 1 Introduction 1 2 Computational methodology 2 3 Results and discussion 2 3.1 Chemistry of materials 2 3.2 Geometry of designed molecules and frontier molecular orbital analysis 2 3.3 Density of states analysis 5 3.4 Photovoltaic analysis 5 3.5 Reorganizational energy 7 3.6 Open circuit voltage 7 3.7 Binding energy and transition density matrix analysis 8 3.8 Complex study 8 4 Conclusion 8 Declaration of competing interest 8 Appendix A Supplementary data 8 References 8
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- Language
- EN
- Category
- nonfiction
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