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...
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Format: | Others |
Language: | English |
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Rhodes University
2018
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Online Access: | http://hdl.handle.net/10962/62327 |