Article
Materials Science, Multidisciplinary
Xinyi Zhang, Di Zhao, Ziye Huo, Jun Sun, Yufeng Hu, Zhidong Lou, Yanbing Hou, Feng Teng, Qiuhong Cui
Summary: Large-area two-dimensional perovskite single crystal thin films were prepared with controlled halide compositions, achieving band gap fine-tuning for the design of photodetectors with varying photosensitivity and stability. The devices exhibit low dark current, high specific detectivity, and excellent stability, showing selectivity in light detection.
Article
Chemistry, Multidisciplinary
George C. Lisensky, Fabian Dauzvardis, Megan M. K. Young
Summary: The size of a unit cell in solid solutions is determined by the size of the atoms, while the distance between nuclei affects the strength of electron bonding and band gap energy. The study of semiconductor CH3NH3Pb(I1-xBrx)(3) solid solutions confirms the relationship between unit cell size, atomic composition, and electron energy levels.
JOURNAL OF CHEMICAL EDUCATION
(2021)
Review
Energy & Fuels
Saad Ullah, Jiaming Wang, Peixin Yang, Linlin Liu, Yuqiao Li, Atta-Ur Rehman, Shi-E Yang, Tianyu Xia, Haizhong Guo, Yongsheng Chen
Summary: The translation emphasizes the importance of vapor deposition strategy in preparing perovskite films and solar cells, especially in industrial applications. Vapor deposition has been proven as an effective method to achieve excellent uniformity and controllability, different from solution processing. The translation comprehensively discusses vapor deposition routes, key factors, and conclusions and future prospects.
Article
Chemistry, Physical
Yuqiao Li, Saad Ullah, Ping Liu, Yongsheng Chen, Lingrui Wang, Shi-E Yang
Summary: The electronic and optical properties of CsPb(I1-xBrx)(3) and CsSn(I1-xBrx)(3) were investigated using density functional theory. It was found that the bandgap can be efficiently tuned by strain modulation, and higher bromine doping concentration leads to higher energy band values. The effective regulation of the energy bandgap can potentially meet the requirements of a promising light-harvesting material.
CHEMICAL PHYSICS LETTERS
(2021)
Article
Engineering, Electrical & Electronic
Weiqun Chu, Xin Zhang, Wenhao Li, Cheng Peng, Yang Liu, Fangqin Li, Jia Lin, Maoliang Wu, Jiang Wu, Zhanmin Zhu
Summary: Numerical simulation is used to study carrier transport in perovskite solar cells. The simulations focus on the thickness of the absorbing layer, doping concentration, and defect density. The results show that a thickness of 0.5 μm and a defect density of 3 x 10^11 cm^-3 yield optimal photoelectric conversion performance. Additionally, adjusting the thickness and doping concentration of the hole transport layer further enhances performance.
OPTICAL AND QUANTUM ELECTRONICS
(2023)
Article
Energy & Fuels
Luning Wang, Sui Yang, Tingting Xi, Qingchen Yang, Jie Yi, Hongxing Li, Jianxin Zhong
Summary: In recent years, inorganic perovskite solar cells based on CsPbI3 have shown improved stability compared to hybrid organic-inorganic PSCs. However, the cubic perovskite structure of CsPbI3 changes to a non-perovskite phase at room temperature, affecting efficiency. By partially substituting I ions with Br ions, perovskite phase stability can be enhanced, but it reduces the absorption spectrum range. To optimize the balance between band gap and stability, introducing and optimizing the spatial bandgap gradation configuration is an effective method.
Article
Energy & Fuels
Peixin Yang, Ping Liu, Saad Ullah, Jiaming Wang, Linlin Liu, Shi-E Yang, Haizhong Guo, Lingrui Wang, Yongsheng Chen
Summary: This study investigates the relationship between phase stability and bandgap width of CsPb(I1-xBrx)(3) perovskite materials in humid environments, and their impact on power conversion efficiency. The results show that in the 4-T formation, CsPbBr3/Si TSCs have the potential to achieve PCE above 28.5%.
Article
Chemistry, Multidisciplinary
Sawanta S. Mali, Jyoti Patil, Sachin R. Rondiya, Nelson Y. Dzade, Julian A. Steele, Mohammad Khaja Nazeeruddin, Pramod S. Patil, Chang Kook Hong
Summary: This study reports a dual strategy for efficient and stable all-inorganic perovskite solar cells through bulk and surface passivation treatment. The approach demonstrates excellent performance in both small-area devices and large-area modules.
ADVANCED MATERIALS
(2022)
Article
Energy & Fuels
Juvet Nche Fru, Nolwazi Nombona, Mmantsae Diale
Summary: Lead iodide-rich methylammonium lead bromide-iodide thin-films were prepared using a sequential physical vapor deposition method. The properties of the films were studied as the thickness of methylammonium bromide was increased, revealing changes in structural, optical, morphological, and electrical properties. The study provides insights into the growth and characteristics of mixed halide perovskites for solar cell applications.
FRONTIERS IN ENERGY RESEARCH
(2021)
Article
Engineering, Electrical & Electronic
Xiaocong Huang, Aixiang Wei, Liu Jun, Yu Zhao, Zhen Liu, Xi Yang
Summary: This study investigates hole-transporting-materials-free and carbon electrode-based perovskite solar cells and optimizes the perovskite film and photovoltaic performance by manipulating the Br- component x. The results show that the solar cell with MAPbI(2.7)Br(0.3) composition exhibits good performance and stability.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2022)
Article
Engineering, Electrical & Electronic
Divya Sharma, Rajesh Mehra, Balwinder Raj
Summary: Mathematical modelling is used to study the performance of perovskite solar cells. The efficiency of the cells is improved by employing different materials, especially the HTL material P3HT. The suitable thickness of the absorber layer in the design of perovskite solar cells is determined through mathematical simulation.
JOURNAL OF COMPUTATIONAL ELECTRONICS
(2023)
Article
Materials Science, Multidisciplinary
E. Aleksanyan, V. Harutyunyan, A. Badalyan, A. Arestakyan, N. Grigoryan, N. Margaryan, A. Kirakosyan, A. Mintairov, A. Ivanov, A. Vlasov
Summary: Hybrid organic-inorganic lead halide perovskites show excellent light-harvesting and photoluminescence emission properties, making them promising candidates for use in solar cells and light-emitting devices. This study investigates the photoluminescence and structural properties of CsPb(I1-xBrx)3 nanosized powders, demonstrating the effectiveness of halide exchange mechanism in fabricating defect-free materials.
Article
Chemistry, Multidisciplinary
Ajeet Singh, Biao Yuan, Md. Habibur Rahman, Hanjun Yang, Angana De, Jee Yung Park, Shuchen Zhang, Libai Huang, Arun Mannodi-Kanakkithodi, Timothy J. Pennycook, Letian Dou
Summary: This study reports the epitaxial core-shell heterostructures of Pb-free double perovskites grown around Pb perovskite 2D crystals. The growth of the Pb-free shell at 45 degrees on the (100) surface of the lead perovskite core is observed in all Pb-free cases. In-depth structural analysis confirms the growth of the Pb-free shell along the [110] direction of the Pb perovskite. Interestingly, the diffusion of halide anions in Pb-free 2D perovskites is significantly suppressed compared to Pb-based 2D perovskites.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Ajeet Singh, Biao Yuan, Md. Habibur Rahman, Hanjun Yang, Angana De, Jee Yung Park, Shuchen Zhang, Libai Huang, Arun Mannodi-Kanakkithodi, Timothy J. Pennycook, Letian Dou
Summary: Epitaxial core-shell heterostructures with Pb-free double perovskite shells grown around Pb perovskite 2D crystals have been successfully achieved. The growth of the Pb-free shells at a 45-degree angle on the (100) surface of the lead perovskite core is observed. In addition, the diffusion of halide anions in Pb-free 2D perovskites is found to be significantly suppressed compared to Pb-based 2D perovskites. The excellent stability and tunability of these Pb-free perovskite heterostructures may have promising applications in electronic and optoelectronic devices in the future.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Materials Science, Multidisciplinary
Qiang Gao, Hasan Sahin, Jun Kang, Su-Huai Wei
Summary: This paper investigates the band-gap bowing effect and its possible origins in recently synthesized two-dimensional (2D) Cs2PbxSn1-xI2Cl2 alloys through first-principles calculations. The dominant mechanism causing the anomalous gap bowing is found to be the structural relaxation-induced wave-function localization, despite the negligible octahedral distortion and small lattice mismatch between the two end compounds. These results underscore the critical role of strong deformation potential and structural relaxation effect in the unusual band evolution of 2D Sn/Pb perovskite alloys.
Article
Chemistry, Physical
Qiuhua Liang, Geert Brocks, Anja Bieberle-Hutter
Summary: Magnetic exchange force microscopy (MExFM) is used to map the magnetic structure of surfaces at atomic resolution. In this study, the researchers theoretically investigate whether MExFM can visualize the magnetic surface structure of RuO₂. Density functional theory calculations are used to analyze the exchange interactions between a ferromagnetic Fe tip and an antiferromagnetic RuO₂(110) surface. The results show a noticeable height difference between spin-up and spin-down Ru atoms in the surface, while the O atoms are hardly visible.
Article
Chemistry, Physical
Haibo Xue, Jose Manuel Vicent-Luna, Shuxia Tao, Geert Brocks
Summary: Lattice defects, especially compound defects, significantly affect the stability of halide perovskite solar cells. The most prominent defects in CsPbI3 are the antisite of Pb substituting Cs under equilibrium conditions, while other compound defects are negligible. However, under nonequilibrium thermal and operating conditions, other complexes such as the Cs substituting Pb antisite and compound vacancies of PbI2 or CsPbI3 units become important. These compound defects mainly lead to shallow or inactive charge carrier traps, indicating the electronic stability of halide perovskites.
JOURNAL OF PHYSICAL CHEMISTRY C
(2023)
Article
Chemistry, Multidisciplinary
Zhaotong Qin, Haibo Xue, Minchao Qin, Yuhao Li, Xiao Wu, Wei-Ru Wu, Chun-Jen Su, Geert Brocks, Shuxia Tao, Xinhui Lu
Summary: The influence of two isomeric A'-site ligands on the crystal growth of 2D perovskites was studied, revealing that branched iso-BA(+) facilitates the formation of large clusters and promotes the crystallization of vertically oriented 2D perovskites. Additionally, iso-BA(+) is less likely to be incorporated into the perovskite lattice, suppressing the formation of unwanted multi-oriented perovskites. These findings explain the better performance of 2D perovskite solar cells based on iso-BA(+) and elucidate the fundamental mechanism of ligand structural impact on 2D perovskite crystallization.
Article
Materials Science, Multidisciplinary
Hong-Hua Fang, Eelco K. Tekelenburg, Haibo Xue, Simon Kahmann, Lijun Chen, Sampson Adjokatse, Geert Brocks, Shuxia Tao, Maria Antonietta Loi
Summary: Low-dimensional halide perovskites with broad emission have promising applications as white light sources. This study investigates the origin of the broadband emission in sub-bandgap region of mixed lead-tin 2D perovskite films. The bandgap can be tuned by the lead-tin ratio, while the photoluminescence is broad and fairly insensitive to the relative amount of Pb and Sn. The low-dimensional systems show less bandgap bowing than their 3D counterpart, possibly due to the smaller spin-orbit coupling effect. Time-resolved photoluminescence reveals ultrafast decay in the high-energy range and slower broadband emission decay, indicating defects as the origin of the broadband emission.
ADVANCED OPTICAL MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Ningyu Ren, Pengyang Wang, Junke Jiang, Renjie Li, Wei Han, Jingjing Liu, Zhao Zhu, Bingbing Chen, Qiaojing Xu, Tiantian Li, Biao Shi, Qian Huang, Dekun Zhang, Sofia Apergi, Geert Brocks, Chenjun Zhu, Shuxia Tao, Ying Zhao, Xiaodan Zhang
Summary: This study demonstrates that by adding a small amount of Cadmium Acetate (CdAc2) in the PbI2 precursor solution, nano-hole array films can be produced, improving the diffusion of organic salts and promoting favorable crystal orientation in perovskite films. This strategy leads to the achievement of high-efficiency flexible perovskite solar cells with a power conversion efficiency (PCE) of 22.78%, and it is also applicable for textured tandem solar cells with a champion PCE of 29.25%. The study provides a facile approach for fabricating high-efficiency perovskite-based solar cells.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Physical
Kunal Datta, Alessandro Caiazzo, Michael A. Hope, Junyu Li, Aditya Mishra, Manuel Cordova, Zehua Chen, Lyndon Emsley, Martijn M. Wienk, Rene A. J. Janssen
Summary: Photoinduced halide segregation limits the widespread application of three-dimensional mixed-halide perovskites. In this study, we investigate the phenomenon of photoinduced halide segregation in lower-dimensional mixed iodide-bromide perovskites. We find that layered two-dimensional structures exhibit additional stability against halide demixing due to reduced halide mobility, which is supported by solid-state NMR analysis.
ACS ENERGY LETTERS
(2023)
Article
Nanoscience & Nanotechnology
Andrea E. A. Bracesco, Jarvi W. P. Jansen, Haibo Xue, Valerio Zardetto, Geert Brocks, Wilhelmus M. M. Kessels, Shuxia Tao, Mariadriana Creatore
Summary: By optimizing the optoelectronic properties of the absorber and its interfaces with charge transport layers (CTLs), perovskite photovoltaics has achieved conversion efficiencies of 26.0%. However, commonly adopted organic CTLs can cause parasitic absorption and device instability, so metal oxides like atomic layer-deposited SnO2 have been introduced for enhanced stability. When ALD SnO2 is directly processed on the absorber without the fullerene layer, chemical modifications of the inorganic fraction of the perovskite occur, compromising the device performance.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Physical
Mriganka Singh, Maged Abdelsamie, Qihua Li, Tim Kodalle, Do-Kyoung Lee, Simon Arnold, Davide R. Ceratti, Jonathan L. Slack, Craig P. Schwartz, Christoph J. Brabec, Shuxia Tao, Carolin M. Sutter-Fella
Summary: This study investigates the formation of triple cation, mixed halide perovskite compositions and the effects of solvents and antisolvents during crystallization. The results show that different solvents and antisolvents have significant influences on the morphology and crystallization pathways of perovskite.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Mike Pols, Victor Brouwers, Sofia Calero, Shuxia Tao
Summary: Machine-learned force fields, trained with an active learning scheme against accurate density functional theory calculations, allow us to investigate defect migration in halide perovskites. We find that halide interstitials migrate faster than halide vacancies, with interstitials having shorter migration paths. Both types of defects migrate faster in CsPbI3 than in CsPbBr3, attributed to the less compact packing of ions in CsPbI3 leading to more frequent defect migration jumps.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Qihua Li, Silvia Gaastra-Nedea, David Smeulders, Shuxia Tao
Summary: Defects, oxygen species, and local charges play important roles in the long-term stability of CH3NH3PbI3 perovskites, but their complex interplay and atomistic degradation mechanisms are not well-understood. Using density functional theory calculations and chemical bonding analysis, we investigate the effect of oxygen and local charges on perovskite degradation. We find that oxygen facilitates the formation of iodine vacancies and excess electrons accelerate the degradation via peroxide formation. The peroxide disintegrates the perovskite lattice on surfaces and induces a cascade of degradation reactions, ultimately leading to lattice destruction. We demonstrate that the addition of holes can prevent peroxide formation and potentially improve perovskite stability.
Article
Energy & Fuels
Junke Wang, Lewei Zeng, Dong Zhang, Aidan Maxwell, Hao Chen, Kunal Datta, Alessandro Caiazzo, Willemijn H. M. Remmerswaal, Nick R. M. Schipper, Zehua Chen, Kevin Ho, Akash Dasgupta, Gunnar Kusch, Riccardo Ollearo, Laura Bellini, Shuaifeng Hu, Zaiwei Wang, Chongwen Li, Sam Teale, Luke Grater, Bin Chen, Martijn M. Wienk, Rachel A. Oliver, Henry J. Snaith, Rene A. J. Janssen, Edward H. Sargent
Summary: Monolithic all-perovskite triple-junction solar cells have shown promise in surpassing the efficiencies of double-junction tandems and even the detailed-balance limit for single junctions. By addressing the halide heterogeneity issue in wide-bandgap perovskites, researchers were able to improve the efficiency and stability of the cells, achieving a record open-circuit voltage. This development enables the fabrication of high-performance all-perovskite triple-junction solar cells.
