Development of a computational chemistry scheme for testing the utility of synthetic bacteriochlorin in dye- sensitized solar cells
A computational chemistry scheme, based on density functional theory, was developed for in silico testing of a few bacteriochlorin properties relevant to dye-sensitized solar cells. These properties included electronic excitation wavelengths, molecular orbital energy levels, and oscillator strengths...
| Main Author: | |
|---|---|
| Format: | Others |
| Language: | English |
| Published: |
Rhodes University
2018
|
| Online Access: | http://hdl.handle.net/10962/62327 |