【作者】 高云静； 陈晶； 胥亚丽； 卢小泉；

【Author】 Yunjing Gao;Jing Chen;Yali Xu;Xiaoquan Lu;Key Laboratory of Bioelectrochemistry & Environmental Analysis of Gansu Province,College of Chemistry & Chemical Engineering, Northwest Normal University;

【机构】 西北师范大学化学化工学院甘肃省生物电化学与环境分析重点实验室；

【摘要】 随着卟啉在科研中的广泛应用,理论研究卟啉这一技术也受到广大科研工作者的青睐,许多理论计算软件也应用而生,本文选择Gaussian软件来进行计算所设计的卟啉敏化剂的各种性质。卟啉类染料敏化太阳能电池(DSSCs)为解决当今社会能源问题做出了巨大的贡献。提高太阳光能的利用率是科学家们共同追求的目标,而卟啉化合物是自然界中具有较大共轭体系的化合物,是一种良好的光敏剂,具有一定的光敏性质,许多研究者致力于研究卟啉的结构。据文献报道具有D-π-A结构的分子内电荷转移不仅仅与共轭的供体与受体有密切关系还与π桥的长度有密切关系,因此我们设计一种具有D-π-A结构的卟啉类敏化剂。更多还原

【Abstract】 With the wide application of porphyrins in scientific research, the theoretical research of porphyrin technology is also favored by the majority of scientific researchers. Many theoretical calculation softwares are also applied, gaussian software was chosen for the calculation of the various properties of the designed porphyrin sensitizers. Porphyrin Dye sensitized Solar cells(DSSCs) have made great contributions to solving the energy problem in society. Increasing the utilization rate of solar energy is a common goal of scientists. Porphyrins are compounds with large conjugated systems in nature, which are a good photosensitizer and have certain photosensitizer properties. Many researchers are devoted to studying the structure of porphyrin. It is reported that the intramolecular charge transfer with D-π-A structure is not only closely related to the conjugated donor and acceptor but also to the length of the π bridge. There is a close relationship, so we designed a porphyrin sensitizer with this structure.更多还原