Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1235834 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2012 | 7 Pages |
Abstract
⺠DFT as well as FTIR were utilized to analyze DCPF. ⺠Vibrational assignments for DCPF isomers were aided at B3LYP/6-311G(d,p). ⺠C isomer is a promising structure for solar cells due to its high dipole moment (7.7 Debye) and lower HOMO/LUMO band gap (2.7 eV).
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
M. Ibrahim, A.A. El-Barbary, M.M. El-Nahass, M.A. Kamel, M.A.M. El-Mansy, A.M. Asiri,