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卤化物钙钛矿MAPbI3的第一性原理研究
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作者 冯春生 欧天吉 马新军 《内蒙古民族大学学报(自然科学版)》 2023年第3期193-198,共6页
采用第一性原理的方法对四方相的MAPbI3进行了研究,计算了MAPbI3的电子性质、不同极化方向的光学性质以及I-沿<100>方向迁移的离子迁移能。计算结果表明:四方相的MAPbI3为直接带隙半导体;在可见光范围内MAPbI3整体具有优异的性能... 采用第一性原理的方法对四方相的MAPbI3进行了研究,计算了MAPbI3的电子性质、不同极化方向的光学性质以及I-沿<100>方向迁移的离子迁移能。计算结果表明:四方相的MAPbI3为直接带隙半导体;在可见光范围内MAPbI3整体具有优异的性能;其在可见光范围内具有高吸收系数、高折射率、低反射率以及较低的能量损失;通过Climbing image nudged elastic band(CI-NEB)方法和超晶胞方法计算的离子迁移能证明MAPbI3晶体中存在强烈的I-扩散。 展开更多
关键词 第一性原理 mapbi3 电子性质 光学性质 离子迁移能
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Comparative Performance Analysis of MAPbI3 and FAPbI3 Perovskites: Study of Optoelectronic Properties and Stability
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作者 Idrissa Diomandé Amal Bouich +2 位作者 Aka Aka Hyacinthe Bernabe Mari Soucasse Aka Boko 《Modeling and Numerical Simulation of Material Science》 2023年第4期51-67,共17页
The exploitation of fossil resources to meet humanity’s energy needs is the root cause of the climate warming phenomenon facing the planet. In this context, non-carbon-based energies, such as photovoltaic energy, are... The exploitation of fossil resources to meet humanity’s energy needs is the root cause of the climate warming phenomenon facing the planet. In this context, non-carbon-based energies, such as photovoltaic energy, are identified as crucial solutions. Organic perovskites MAPbI<sub>3</sub> and FAPbI<sub>3</sub>, characterized by their abundance, low cost, and ease of synthesis, are emerging as candidates for study to enhance their competitiveness. It is within this framework that this article presents a comparative analysis of the performances of MAPbI<sub>3</sub> and FAPbI<sub>3</sub> perovskites in the context of photovoltaic devices. The analysis focuses on the optoelectronic characteristics and stability of these high-potential materials. The optical properties of perovskites are rigorously evaluated, including band gaps, photoluminescence, and light absorption, using UV-Vis spectroscopy and photoluminescence techniques. The crystal structure is characterized by X-ray diffraction, while film morphology is examined through scanning electron microscopy. The results reveal significant variations between the two types of perovskites, directly impacting the performance of resulting solar devices. Simultaneously, the stability of perovskites is subjected to a thorough study, exposing the materials to various environmental conditions, highlighting key determinants of their durability. Films of MAPbI<sub>3</sub> and FAPbI<sub>3</sub> demonstrate distinct differences in terms of topography, optical performance, and stability. Research has unveiled that planar perovskite solar cells based on FAPbI<sub>3</sub> offer higher photoelectric conversion efficiency, surpassing their MAPbI<sub>3</sub>-based counterparts in terms of performance. These advancements aim to overcome stability constraints and enhance the long-term durability of perovskites, ultimately aiming for practical application of these materials. This comprehensive comparative analysis provides an enlightened understanding of the optoelectronic performance and stability of MAPbI<sub>3</sub> and FAPbI<sub>3</sub> perovskites, which is critically important to guide future research and development of solar devices that are both more efficient and sustainable. 展开更多
关键词 Perovskites FAPbI3 mapbi3 Optoelectronic Properties PERFORMANCE
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Stabilizing the MAPbI3 perovksite via the in-situ formed lead sulfide layer for efficient and robust solar cells 被引量:2
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作者 Lujia Xie Taiyang Zhang Yixin Zhao 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2020年第8期62-65,I0003,共5页
Surface passivation via post-treatment with organic reagents is a popular strategy to improve the stability and efficiency of perovskite solar cell. However, organic passivation still suffers from the weak bonding bet... Surface passivation via post-treatment with organic reagents is a popular strategy to improve the stability and efficiency of perovskite solar cell. However, organic passivation still suffers from the weak bonding between organic chemicals and perovskite layers. Here we reported a facile inorganic layer passivating method containing strong Pb–S bonding by using ammonium sulfide treatment. A compact PbS_x layer was in-situ formed on the top surface of the perovskite film, which could passivate and protect the perovskite surface to enhance the performance and stability. Our novel inorganic passivation layer strategy demonstrates great potential for the development of high efficiency hybrid and robust perovskite optoelectronics. 展开更多
关键词 Inorganic surface passivation mapbi3 Ammonium sulfide Perovskite solar cells
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MAPbI3/Cs0.05(MA0.15FA0.85)0.95Pb(I0.85Br0.15)3钙钛矿异质结对太阳能电池器件性能的影响
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作者 翟航 崔灿 《浙江理工大学学报(自然科学版)》 2020年第6期781-789,共9页
钙钛矿太阳能电池(Perovskite solar cell, PSC)中的界面是载流子分离与传输的重要通道,高质量的界面有利于载流子的抽取并减少复合,是制备高效率太阳能电池器件的关键。在含有过量碘化铅(PbI2)的混合离子钙钛矿薄膜(Cs0.05(MA0.15FA0.8... 钙钛矿太阳能电池(Perovskite solar cell, PSC)中的界面是载流子分离与传输的重要通道,高质量的界面有利于载流子的抽取并减少复合,是制备高效率太阳能电池器件的关键。在含有过量碘化铅(PbI2)的混合离子钙钛矿薄膜(Cs0.05(MA0.15FA0.85)0.95Pb(I0.85Br0.15)3)表面旋涂碘甲胺(MAI)一步制备MAPbI3/Cs0.05(MA0.15FA0.85)0.95Pb(I0.85Br0.15)3异质结,通过异质结提升钙钛矿层和空穴传输层(Hole transport layer, HTL)之间的界面质量。结果表明:形成MAPbI3/Cs0.05(MA0.15FA0.85)0.95Pb(I0.85Br0.15)3异质结后,界面载流子的分离与传输能力增强,器件的光吸收能力和外量子效率(External quantum efficiency, EQE)得到了提升,整个电路收集的电流变多,器件最终的短路电流(Short circuit current, Jsc)从21.53 mA/cm^2提升到了23.62 mA/cm^2,器件效率(Power conversion efficiency, PCE)从17.32%提升至19.75%。 展开更多
关键词 钙钛矿太阳能电池 异质结 mapbi3 界面 短路电流
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MAPbI3单晶光电探测器的制备及应用
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作者 余龙 张智方 +1 位作者 朱燕艳 曹海静 《微纳电子技术》 北大核心 2020年第5期349-352,371,共5页
采用逆温法生长得到了MAPbI3单晶,经过粗磨抛光处理后,作为靶材在其表面蒸镀了Au电极,制备了Au/MAPbI3/Au光电探测器,并对其光电性能进行了详细研究。在不同光照条件下的I-V性能测试结果表明,相同的偏压下MAPbI3单晶光电探测器均具有较... 采用逆温法生长得到了MAPbI3单晶,经过粗磨抛光处理后,作为靶材在其表面蒸镀了Au电极,制备了Au/MAPbI3/Au光电探测器,并对其光电性能进行了详细研究。在不同光照条件下的I-V性能测试结果表明,相同的偏压下MAPbI3单晶光电探测器均具有较好的光敏感性和探测性能。通过α能谱和飞行时间(TOF)技术研究并讨论了该探测器对α粒子的探测性能,并最终得到探测器中电子和空穴的电子迁移率和寿命乘积分别为5.6×10^-4和3.3×10^-4 cm^2/V,电子和空穴的迁移率分别为24.6和59.7 cm^2/(V·s)。实验结果表明,该探测器的探测能力与室温核辐射探测材料CdZnTe的相当,证实了逆温法生长的MAPbI3单晶具有优异的电荷传输性能,在室温辐射检测领域有巨大的潜力。 展开更多
关键词 mapbi3单晶 逆温法 蒸镀电极 辐射探测 钙钛矿材料
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1,4-二碘苯对碘铅甲胺钙钛矿层的改性
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作者 郑中祥 史非 +2 位作者 刘敬肖 李文思 刘佳磊 《大连工业大学学报》 CAS 2024年第1期56-60,共5页
通过向钙钛矿前驱液中加入1,4-二碘苯钝化碘铅甲胺(MAPbI3)钙钛矿层缺陷,降低钙钛矿层的缺陷密度。利用XRD、SEM对钙钛矿薄膜的晶相组成和微观形貌进行表征,以荧光光谱及空间限制电荷电流分析对MAPbI3缺陷密度进行分析。结果表明,前驱... 通过向钙钛矿前驱液中加入1,4-二碘苯钝化碘铅甲胺(MAPbI3)钙钛矿层缺陷,降低钙钛矿层的缺陷密度。利用XRD、SEM对钙钛矿薄膜的晶相组成和微观形貌进行表征,以荧光光谱及空间限制电荷电流分析对MAPbI3缺陷密度进行分析。结果表明,前驱液中引入1,4-二碘苯后缺陷密度明显降低。电化学阻抗及J-V曲线测试结果表明,相较于未引入1,4-二碘苯改性的钙钛矿太阳能电池,当钙钛矿层中1,4-二碘苯的摩尔分数为2.1%时,电池的开路电压由0.83 V提升至0.95 V,填充因子由52.5%提升至62.3%,光电转化效率由6.79%提升至8.47%,并且经过多次重复实验后性能保持稳定。 展开更多
关键词 1 4-二碘苯 缺陷钝化 碘铅甲胺
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Investigation of transport properties of perovskite single crystals by pulsed and DC bias transient current technique
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作者 Juan Qin Gang Cao +6 位作者 Run Xu Jing Lin Hua Meng Wen-Zhen Wang Zi-Ye Hong Jian-Cong Cai Dong-Mei Li 《Chinese Physics B》 SCIE EI CAS CSCD 2022年第11期465-469,共5页
Time-of-flight(ToF)transient current method is an important technique to study the transport characteristics of semiconductors.Here,both the direct current(DC)and pulsed bias ToF transient current method are employed ... Time-of-flight(ToF)transient current method is an important technique to study the transport characteristics of semiconductors.Here,both the direct current(DC)and pulsed bias ToF transient current method are employed to investigate the transport properties and electric field distribution inside the MAPbI_(3) single crystal detector.Owing to the almost homogeneous electric field built inside the detector during pulsed bias ToF measurement,the free hole mobility can be directly calculated to be about 22 cm^(2)·V^(-1)·s^(-1),and the hole lifetime is around 6.5μs–17.5μs.Hence,the mobility-lifetime product can be derived to be 1.4×10^(-4)cm^(2)·V^(-1)–3.9×10^(-4)cm^(2)·V^(-1).The transit time measured under the DC bias deviates with increasing voltage compared with that under the pulsed bias,which arises mainly from the inhomogeneous electric field distribution inside the perovskite.The positive space charge density can then be deduced to increase from 3.1×10^(10)cm^(-3)to 6.89×10^(10)cm^(-3)in a bias range of 50 V–150 V.The ToF measurement can provide us with a facile way to accurately measure the transport properties of the perovskite single crystals,and is also helpful in obtaining a rough picture of the internal electric field distribution. 展开更多
关键词 mapbi3 space charge density electric field distribution time-of-flight measurement
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混合溶剂蒸汽退火策略制备高效钙钛矿太阳能电池
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作者 杨光辉 李德文 张冬华 《分子科学学报》 CAS 北大核心 2022年第6期486-492,共7页
制备高质量的钙钛矿薄膜对提升钙钛矿太阳能电池器件光伏性能至关重要,本文报道了一种异丙醇(IPA)和N,N-二甲基甲酰胺(DMF)混合溶剂蒸汽退火策略来改善钙钛矿薄膜质量,提升钙钛矿太阳能电池的光伏性能.首先通过两步法制备CH3NH3PbI3钙... 制备高质量的钙钛矿薄膜对提升钙钛矿太阳能电池器件光伏性能至关重要,本文报道了一种异丙醇(IPA)和N,N-二甲基甲酰胺(DMF)混合溶剂蒸汽退火策略来改善钙钛矿薄膜质量,提升钙钛矿太阳能电池的光伏性能.首先通过两步法制备CH3NH3PbI3钙钛矿薄膜,并将制备好的薄膜分别置于无溶剂蒸汽、IPA溶剂蒸汽和IPA/DMF混合溶剂蒸汽气氛中进行热退火处理.测试结果表明IPA/DMF混合溶剂蒸汽退火可以增大钙钛矿晶粒尺寸、减少薄膜中的针孔、增强薄膜的光吸收能力、抑制非辐射复合,从而提升了相应钙钛矿太阳能电池的光电转换效率和长期稳定性.J-V测试结果表明在IPA/DMF混合溶剂蒸汽退火条件下所制备的器件效率可达到18.29%,与未经溶剂退火器件相比,该方法制备电池的效率提升了25%,迟滞效应基本消失,器件在空气环境中保存500 h后,效率仍保持其初始值的90%以上. 展开更多
关键词 溶剂蒸汽退火 混合溶剂 mapbi3薄膜 钙钛矿太阳能电池
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