JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
·
2024
·Vol. 35
·期 7
·1-12
·
IF 2.8
Yin Lixiong,Guo Yao,Liu Changqing,Li Luyao,Fan Dejiang,Huang Jianfeng,Zhang Qinghua,Wang Tao,Chen Yufei
Carbon-based organic-inorganic perovskite solar cells (C-PSCs) are low-cost photovoltaic cells. However, the carrier recombination caused by interface defects and the mismatched interface energy level limits the further improvement of the efficiency of C-PSCs. In this work, SmCl 3 was introduced as a “double-sided” modifier to achieve interfacial modification. After modified, Cl − passivated the oxygen vacancy defects on the TiO 2 surface. Meanwhile, Sm 3+ was diffused into the perovskite interface in the form of a concentration gradient, which balanced the non-coordinated Pb 2+ and improved the energy level arrangement. Due to good interfacial contact, the reduced interfacial non-radiative recombination, and rapid charge extraction and transport, the optimized C-PSCs efficiency was increased from 11.03 to 13.4%. In addition, the unencapsulated champion PSC remained stable for long-term stability after the sustained attack for 800 h at room temperature of 20% RH. This work proposed a straightforward interface modification strategy to improve the efficiency of C-PSCs.
研究领域:
材料科学
·
光伏技术
✓ 已验证
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2022
·
IF 6.633
Jia Zhao,Zhaoting Liu,Wenshuo Liang,Guimin Lu
This present work evaluates the local structure and electrochemical behavior of the LiCl-KCl-SmCl 3 melt to facilitate the efficient reprocessing of spent nuclear fuel (SNF). At 723 K, the radial distribution function, coordination number, and structure factors were adopted to understand the local structure of LiCl-KCl and LiCl-KCl-SmCl 3 based on first-principles molecular dynamics (FPMD) simulation. We found the SmCl 3 slight effect on LiCl-KCl melts in short-range order and its influence on the distribution of Li-Li intermediate-range order. Moreover, the diffusion coefficient of Sm(III) 2.012 × 10 -5 cm 2 /s in LiCl-KCl melts was determined by analyzing the mean square displacement. The electrochemical behavior of Sm(III) was conducted in the temperature range from 673 K to 823 K by a series of electrochemical methods. According to the theory of Matsuda and Ayabe, the Sm(III) + e - = Sm(II) is a quasi-reversible process. The diffusion coefficient of Sm(III) was measured by the chronoamperometry method, which verified the credibility of the FPMD simulation. Furthermore, this work explored the exchange current density of Sm(III)/Sm(II), whose value is between 0.826 × 10 -3 and 2.383 × 10 -3 A·cm −2 , by the linear polarization.
研究领域:
材料科学
·
电化学
·
核工程
✓ 已验证
产品关联
DOI
高影响因子
RSC Advances
·
2020
·Vol. 10
·期 18
·10932-10938
·
IF 3.119
Yunfei Chang,Mingyi Liao,Xueyan Li
Using a simple one-pot method, the reduction of liquid terminated-carboxyl fluoroelastomers (LTCFs) by sodium borohydride and samarium chloride (NaBH4/SmCl3) was successfully realized and liquid terminated-hydroxyl fluoroelastomers (LTHFs) were obtained. The structure and functional group content of LTCFs and LTHFs were analyzed by FTIR, 1H-NMR, 19F-NMR and chemical titration. The results showed that –CC– and carboxyl groups of LTCFs were reduced efficiently, the reduction rate reached 92% under optimum reaction conditions. Compared with other frequently-used metal chlorides, SmCl3 with a high coordination number could increase the reduction activity of NaBH4 more effectively and the reduction mechanism was explored.
研究领域:
材料化学
·
有机化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2023
·
IF 6
Can Xu,Xianwei Hu,Jiangyu Yu,Pengwei Li,Aimin Liu,Shaohua Luo,Zhongning Shi,Zhaowen Wang
The study on the ionic structure of SmCl 3 -KCl-LiCl molten systems is of guiding significance for the practical production of metal samarium and samarium alloys via Molten salt electrolysis (MSE) using this system as electrolyte. Based on density functional theory (DFT), the possible ionic groups in SmCl 3 -KCl-LiCl molten system were simulated by Gaussian and GaussView program and their theoretical Raman spectra were calculated. The calculated spectra were then compared with the experimental Raman spectra of molten 0.1–2 mol% SmCl 3 -(41 mol% KCl-59 mol% LiCl) to identify the ionic groups which might have existed. It is thought that SmCl 4 - , SmCl 6 3- , Sm 2 Cl 8 2- and Sm 2 Cl 7 - exist in the molten system. When the temperature is unchanged, the “lifetime” of SmCl 6 3- is reduced while those of SmCl 4 - , Sm 2 Cl 8 2- and Sm 2 Cl 7 - is increased with the increase of SmCl 3 content. Within the temperature range of 773–809 K, when the content of SmCl 3 remains unchanged, the “lifetime” of these complex ions decreases with the increase of temperature. Besides, the relative content of SmCl 6 3- decreases with the increase of temperature. The wave function analysis of the four kinds of Sm-Cl ionic groups was also carried out using Multiwfn program. The net atomic charge of each ionic group, the direction of electron migration during the formation of the ionic groups, as well as the most prone to electrophilic and nuclear reactions of each ionic group, and the order of bond breaking during chemical reactions for the four groups were obtained.
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）