Quantum-Chemical Evaluation of Impact of Chlorination versus Fluorination on the Electronic Properties of Donors and Acceptors for Organic Solar Cells

Keyphrases

• Chlorination 100%
• Parr 100%
• Fluorination 100%
• Quantum Chemistry 100%
• Electronic Properties 100%
• Three-parameter 100%
• Organic Solar Cells 100%
• Impact Evaluation 100%
• Chemical Evaluation 100%
• Conjugated System 50%
• 1,2-Dichlorobenzene 50%
• Small Molecule Acceptors 50%
• Popular 25%
• Dipole Moment 25%
• Chemical Structure 25%
• Chlorine 25%
• Quantum Mechanical Calculations 25%
• Triple Excitation 25%
• Energy Levels 25%
• Computational Cost 25%
• CCSD(T) 25%
• Excitation Methods 25%
• Large-scale Application 25%
• Dispersion Correction 25%
• Conjugated Materials 25%
• Charge-transfer Character 25%
• Long-range Corrected Functionals 25%
• Perturbative Triples 25%
• Global Hybrid 25%
• Conjugated Polymer Donors 25%

Chemistry

• Donor 100%
• Organic Solar Cells 100%
• Fluorination 100%
• Electronic Property 100%
• Dipole Moment 50%
• Conjugated Polymer 50%
• CCSD 50%
• Fluorine 50%
• Fullerene 50%
• 1,2-difluorobenzene 50%
• 1,2-Dichlorobenzene 50%

Material Science

• Organic Solar Cells 100%
• Electronic Property 100%
• Conjugated Polymer 50%
• Fullerene 50%
• Structure (Composition) 50%