Ball-Type Dioxy-o-Carborane Bridged Cobaltphthalocyanine: Synthesis, Characterization and DFT Studies For Dye-Sensitized Solar Cells as Photosensitizer

IF 1.3 3区化学 Q3 CHEMISTRY, ORGANIC

Heterocyclic Communications Pub Date : 2020-01-01 DOI:10.1515/hc-2020-0007

Sevinc Sener

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引用次数: 1

Abstract

Abstract The synthesis and spectroscopic characterization of an innovative ball-type cobalt metallophthalocyanine 4, bridged by four 1,2-bis(2-hydroxymethyl)-O-carborane (HMOC) 1 units, has been achieved. The synthesized compound 4 was characterized structurally and electronically using elemental analysis, UV-Vis absorption spectroscopy, FT-IR spectroscopy, MALDI-TOF mass spectrometry, EPR spectroscopy and magnetic susceptibility. The photovoltaic performance of the newly synthesized compound in dye-sensitized solar cells was investigated. In order to clarify the effect of dye-sensitization time on photovoltaic performance parameters, the sensitization time was varied from 12 to 60 h and the performance parameters were investigated. It was found that sensitization time had a strong effect on the main performance parameters. The best photovoltaic performance was achieved after sensitization for 36 h (short circuit current density, 5.41 mA cm−2; overall conversion efficiency, 3.42%). Computational UV-Vis absorption spectra of the molecule was calculated using time dependent density functional theory and was found consistent with measured UV-Vis spectra.

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球型二氧基碳硼烷桥接钴酞菁：染料敏化太阳能电池的合成、表征和DFT研究

摘要合成了一种由四个1,2-双（2-羟甲基）-O-碳硼烷（HMOC）1单元桥接的新型球形钴金属酞菁4，并对其进行了光谱表征。利用元素分析、UV-Vis吸收光谱、FT-IR光谱、MALDI-TOF质谱、EPR光谱和磁化率对合成的化合物4进行了结构和电子表征。研究了新合成的化合物在染料敏化太阳能电池中的光伏性能。为了阐明染料敏化时间对光伏性能参数的影响，敏化时间从12到60小时不等，并对性能参数进行了研究。研究发现，敏化时间对主要性能参数有很大影响。敏化36小时后获得了最佳的光伏性能（短路电流密度，5.41 mA cm−2；总转换效率，3.42%）。使用时间相关密度泛函理论计算了分子的计算UV-Vis吸收光谱，发现与测量的UV-Vis光谱一致。

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来源期刊

Heterocyclic Communications 化学-有机化学

CiteScore

3.80

自引率

4.30%

发文量

审稿时长

1.4 months

期刊介绍： Heterocyclic Communications (HC) is a bimonthly, peer-reviewed journal publishing preliminary communications, research articles, and reviews on significant developments in all phases of heterocyclic chemistry, including general synthesis, natural products, computational analysis, considerable biological activity and inorganic ring systems. Clear presentation of experimental and computational data is strongly emphasized. Heterocyclic chemistry is a rapidly growing field. By some estimates original research papers in heterocyclic chemistry have increased to more than 60% of the current organic chemistry literature published. This explosive growth is even greater when considering heterocyclic research published in materials science, physical, biophysical, analytical, bioorganic, pharmaceutical, medicinal and natural products journals. There is a need, therefore, for a journal dedicated explicitly to heterocyclic chemistry and the properties of heterocyclic compounds.