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钴(Ⅱ)(C_(2v))配合物电子光谱的强场处理及AOM参量计算
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作者 张棣 豆育升 文振翼 《化学研究与应用》 CAS CSCD 1990年第2期66-71,共6页
应用强场近似拟合了10个假四面体Co(Ⅱ)(C_(2γ))配合物的配体独场光谱,由拟合得到的单电子矩阵元得到了各个配体的AOM参量。结果说明各配体的AOM参量同该配体与金属离子之间的配键强度相关。
关键词 强场处理 原子参量 配键强度
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Identifying the functional groups effect on passivating perovskite solar cells 被引量:6
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作者 Jiangsheng Xie Keyou Yan +12 位作者 Houyu Zhu Guixia Li Han Wang Hepeng Zhu Pengjie Hang Shenghe Zhao Wenyue Guo Daiqi Ye Lei Shao Xin Guang To Ngai Xuegong Yu Jianbin Xu 《Science Bulletin》 SCIE EI CAS CSCD 2020年第20期1726-1734,M0004,共10页
Many organic molecules with various functional groups have been used to passivate the perovskite surface for improving the efficiency and stability of perovskite solar cell(PSCs).However,the intrinsic attributes of th... Many organic molecules with various functional groups have been used to passivate the perovskite surface for improving the efficiency and stability of perovskite solar cell(PSCs).However,the intrinsic attributes of the passivation effect based on different chemical bonds are rarely studied.Here,we comparatively investigate the passivation effect among 12 types of functional groups on para-tertbutylbenzene for PSCs and find that the open circuit voltage(VOC) tends to increase with the chemical bonding strength between perovskite and these passivation additive molecules.Particularly,the paratert-butylbenzoic acid(tB-COOH),with the extra intermolecular hydrogen bonding,can stabilize the surface passivation of perovskite films exceptionally well through formation of a crystalline interlayer with water-insoluble property and high melting point.As a result,the tB-COOH device achieves a champion power conversion efficiency(PCE) of 21.46%.More importantly,such devices,which were stored in ambient air with a relative humidity of ~45%,can retain 88% of their initial performance after a testing period of more than 1 year(10,080 h).This work provides a case study to understand chemical bonding effects on passivation of perovskite. 展开更多
关键词 Perovskite solar cell Surface passivation Chemical bonding Functional groups Hydrogen bonding
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