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dc.description.abstractDye-sensitized solar cells (DSSC) have attained considerable attention newlineduring the last decade because of the potential of becoming a low cost newlinealternative to silicon based solar cells. Although efficiencies exceeding 10% newlinein full sunlight have been presented, major improvements of the system are newlinehowever limited. Phthalocyanines are an important class of high performance newlinecompound, which are easily processable, and display good mechanical newlineproperties, outstanding thermal and thermal-oxidative stability. This thesis newlinepresent theoretical study of some metal substituted Phthalocyanine dye newlinesensitizer for solar energy conversion applications using quantum calculation newlinemethods. newlineThe first chapter was a general introduction to the photovoltaics and dyesensitized newlinesolar cells, such as the operating principles and the characteristics newlineof the dye cell. newlineIn Chapter 2, we specified the theoretical backgrounds and importance of the newlinePhthalocyanine dyes for solar cell applications. newlineFrom Chapter 3 to Chapter 7, we studied the performance of six metal newlinesubstituted Phthalocyanine (MPc) organic sensitizer in DSSC. The newlinegeometries, HOMO, LUMO and HOMO-LUMO energy gap of MPc dye newlinesensitizers were studied based on DFT and HF method using the hybrid newlinefunctional B3LYP. UV-Vis spectra were investigated by DFT and HF method newlinemethods and also the results are analyzed. newlineWe drew some final concluding remarks in Chapter 8 with brief short newlinediscussion and also plan of future research works for dye-sensitized solar newlinecell applications. newlineKey words: Metal substituted Phthalocyanine (MPc), DFT and HF method, newlineHOMO-LUMO energy gap, UV-Vis spectra.en_US
dc.titleQuantum chemical calculations of some modified phthalocyanine dye sensitizers for solar cell applicaticationsen_US
dc.creator.researcherManimegalai, Sen_US
dc.subject.keywordPhthalocyanine Dyeen_US
dc.subject.keywordQuantum Chemicalen_US
dc.subject.keywordSolar Cellen_US
dc.description.noteReferences given chapter wiseen_US
dc.contributor.guideAnbarasan, P Men_US
dc.publisher.universityPeriyar Universityen_US
dc.publisher.institutionDepartment of Physicsen_US
Appears in Departments:Department of Physics

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01_title.pdfAttached File354.3 kBAdobe PDFView/Open
02_acknowledgement.pdf265.17 kBAdobe PDFView/Open
03_content.pdf108.83 kBAdobe PDFView/Open
04_abstract.pdf86.58 kBAdobe PDFView/Open
05_chapter 1.pdf727.76 kBAdobe PDFView/Open
06_chapter 2.pdf615.03 kBAdobe PDFView/Open
07_chapter 3.pdf1.68 MBAdobe PDFView/Open
08_chapter 4.pdf684.28 kBAdobe PDFView/Open
09_chapter 5.pdf736.25 kBAdobe PDFView/Open
10_chapter 6.pdf606.59 kBAdobe PDFView/Open
11_chapter 7.pdf770.77 kBAdobe PDFView/Open
12_chapter 8.pdf360.35 kBAdobe PDFView/Open
13_appendix.pdf123.7 kBAdobe PDFView/Open

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