Article
Chemistry, Physical
Jing Wang, Kongxiang Wang, Chenhui Zhang, Siyu Liu, Xiang Guan, Chunjun Liang, Chun-Chao Chen, Fengxian Xie
Summary: A post-surface engineering strategy called the clean-passivate method is proposed to address the interfacial problem between the perovskite and the electron transport layer. This method reduces defects and unreacted PbI2, resulting in improved efficiency and stability of perovskite solar cells.
ADVANCED ENERGY MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Jianghu Liang, Zhanfei Zhang, Ying Huang, Qi Xue, Yiting Zheng, Xueyun Wu, Congcong Tian, Yi Zhang, Yimeng Wang, Zhenhua Chen, Chun-Chao Chen
Summary: This study demonstrates that using bulky alkylammonium spacer cations in 2D perovskites helps in preparing high-quality phase-pure alpha-FAPbI(3) perovskite films, which leads to improved efficiency and stability of perovskite solar cells. The deprotonation process of the spacer cations during annealing removes the in situ generated 2D perovskites from the film, ultimately affecting the performance and stability of the solar cells.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Energy & Fuels
Yupeng Zheng, Xueqing Xu, Shijun Liu, Gang Xu, Zhuoneng Bi, Yanqing Zhu, Kai Wang, Shengzhong (Frank) Liu, Antonio Guerrero, Guichuan Xing
Summary: This study successfully developed a method using nontoxic solvent dimethyl sulfoxide (DMSO) and heat-assisted blade coating to fabricate perovskite films with smooth surface, dense grains, and excellent crystallinity. Without additives or surface treatments, the resulting solar cells exhibited high efficiencies even after prolonged storage and heating.
Article
Chemistry, Multidisciplinary
Bingcheng Yu, Jiangjian Shi, Shan Tan, Yuqi Cui, Wenyan Zhao, Huijue Wu, Yanhong Luo, Dongmei Li, Qingbo Meng
Summary: By developing a UAT molten salt modification strategy, high-quality CsPbI3 films have been successfully deposited with significantly improved crystal quality, leading to a cell efficiency of over 20% and excellent stability over 1000 hours. These results demonstrate a promising development route for CsPbI3-related photoelectric devices.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Editorial Material
Chemistry, Multidisciplinary
Sergei D. Baranovskii, Pauline Hoehbusch, Alexey V. Nenashev, Anatolii V. Dvurechenskii, Marina Gerhard, Dirk Hertel, Klaus Meerholz, Martin Koch, Florian Gebhard
Summary: In the study of optoelectronic properties in FAPb(1-x)Sn(x)I(3) and FA(0.83)Cs(0.17)Pb(1-x)Sn(x)I(3) perovskites as a function of the lead:tin content, researchers observed that the broadest luminescence linewidth and the largest Stokes shift occurred in mixed compositions with Sn 85%, contrary to the intuitive expectation. This comment suggests that the largest effects of alloy disorder are expected for x < 0.25 and x > 0.85 due to statistical local spatial fluctuations of the alloy composition, which could explain why Pb-rich and Sn-rich Sn-Pb perovskites exhibit certain optical properties compared to lead-only counterparts.
ADVANCED FUNCTIONAL MATERIALS
(2022)
Article
Energy & Fuels
Maximilian Ernst, Jan-Philipp Herterich, Christoph Margenfeld, Markus Kohlstadt, Uli Wuerfel
Summary: This study presents a method for preparing perovskite photovoltaic modules with an active area of 66 cm(2), using blade coating technology, which shows significant potential for large-area module fabrication. The addition of lead(II) thiocyanate improves the perovskite crystallinity and ultimately leads to high-efficiency solar cell modules.
Article
Chemistry, Multidisciplinary
Duong Nguyen Minh, Lan Anh Thi Nguyen, Cong Tai Trinh, Changjun Oh, Sangwon Eom, Thanh Van Vu, Jinwoo Choi, Jae Hyun Sim, Kwang-Geol Lee, Jaeyong Kim, Seong Chan Cho, Sang Uck Lee, Vera Cimrova, Youngjong Kang
Summary: A novel low-dimensional single-cation perovskite structure FA(m)(+2)Pb(m)Br(3)(m)(+2) was successfully prepared using a quenching-assisted solution process, allowing for dimensional control over 1D, 2D, and 3D perovskites by changing precursor compositions. These perovskites exhibit unique (110) orientation and are stabilized by PVDF, enabling the fabrication of stable composite films for rewritable phase-change memory applications that respond to various stimuli such as humidity, ultraviolet light, oxygen, and solvents.
ADVANCED FUNCTIONAL MATERIALS
(2021)
Article
Energy & Fuels
Byung-wook Park, Hyoung Woo Kwon, Yonghui Lee, Do Yoon Lee, Min Gyu Kim, Geonhwa Kim, Ki-jeong Kim, Young Ki Kim, Jino Im, Tae Joo Shin, Sang Il Seok
Summary: The study shows that using isopropylammonium to stabilize the perovskite structure greatly improves the long-term stability of solar cells, leading to enhanced efficiency performance.
Article
Chemistry, Physical
Muhammed P. U. Haris, Samrana Kazim, Meenakshi Pegu, M. Deepa, Shahzada Ahmad
Summary: The research progress on MAPbI(3) perovskites has been significant, but FAPbI(3) faces challenges due to phase instability. Strategies are being developed to overcome these challenges by manipulating crystallization kinetics and surface engineering.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Shunran Li, Zhenghong Dai, Conrad A. Kocoj, Eric I. Altman, Nitin P. Padture, Peijun Guo
Summary: The timescale of the orthorhombic-to-tetragonal phase transition in methylammonium lead triiodide (MAPbI3) was investigated using nanosecond transient absorption spectroscopy. A clean signature of transient, reversible orthorhombic-to-tetragonal transition was observed on the tens-of-nanoseconds timescale. Compared to inorganic phase-change materials, MAPbI3 exhibited orders-of-magnitude-slower phase transition, indicating a large energy barrier for activating the hydrogen-bond network and cooperative octahedral rotations. This approach provides insights into phase-transition dynamics in metal halide perovskites (MHPs) and other hybrid materials.
Article
Chemistry, Physical
Siyang Wang, Liguo Tan, Junjie Zhou, Minghao Li, Xing Zhao, Hang Li, Wolfgang Tress, Liming Ding, Michael Graetzel, Chenyi Yi
Summary: In this study, CsFA films with high quality were fabricated using innovative morphology engineering method, which combines solution deposition and vacuum evaporation. The CsFA-based perovskite solar cells demonstrated excellent thermal stability and high power conversion efficiency, making them a promising candidate for applications in solar energy conversion.
Article
Materials Science, Multidisciplinary
Wen-Cheng Qiao, Jia-Qi Liang, Wei Dong, Kaiyang Ma, Xue Lu Wang, Ye-Feng Yao
Summary: This study compares the effects of bromine anion and dimethylamine cation alloying on the structure and properties of FAPbI3 perovskite. It demonstrates that DMA-incorporated FAPbI3 perovskites exhibit improved structural stability and photovoltaic performance while maintaining the original bandgap energy. The incorporation of DMA cations constrains the dynamic space of neighboring FA cations, increasing their interaction with the inorganic lattice and stabilizing the lattice structure. This work provides an efficient method for improving the phase stability of FAPbI3 perovskite materials and offers a plausible molecular mechanism for the stability induced by DMA-FA alloying.
NPG ASIA MATERIALS
(2022)
Article
Chemistry, Physical
Azimatu Seidu, Marc Dvorak, Patrick Rinke, Jingrui Li
Summary: The (001) surface of the emerging photovoltaic material cesium lead triiodide (CsPbI3) is studied using first-principles methods to investigate its atomic and electronic structure. It is found that CsI-termination is more stable than PbI2-termination on both cubic (alpha) and orthorhombic (gamma) CsPbI3 phases. Surface phase diagrams show that surfaces with added or removed units of nonpolar CsI and PbI2 are the most stable, and the alpha phase exhibits surface states that derive from the conduction band.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Multidisciplinary
Junnan Hu, Zhaojian Xu, Tucker L. Murrey, Istvan Pelczer, Antoine Kahn, Jeffrey Schwartz, Barry P. Rand
Summary: The thermal stress on lead perovskites leads to the formation of I2 and triiodide, which can attack and decompose the lead halide perovskites. However, the surface treatment with thiol reducing agents can prevent the decomposition and improve the stability and performance of the perovskite solar cells.
ADVANCED MATERIALS
(2023)
Article
Chemistry, Physical
Hongfei Chen, Hejin Yan, Yongqing Cai
Summary: The mixing of different A-site cations in lead halide perovskites improves stability and efficiency, but the composition optimization is currently based on trial and error due to the complexity of solvent interactions. This study explores the interaction between lead iodide and various A-site cations, quantitatively predicting the ideal recipe for A-site substitution. The work also proposes a mechanism for the growth of perovskites via ionic diffusion driven by electric fields.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Chemistry, Physical
Daniel Wolverson, Benjamin Smith, Enrico Da Como, Charles Sayers, Gary Wan, Luca Pasquali, Mattia Cattelan
Summary: A simple first-principles approach is used to estimate the core level shifts observed in X-ray photoelectron spectroscopy for the 4f electrons of Hf, Ta, W, and Re. The results show that this approach can provide insights into modifications of the commensurate charge density wave and the surface termination of MXenes.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Materials Science, Multidisciplinary
Nourdine Zibouche, Surani M. Gunasekera, Daniel Wolverson, Marcin Mucha-Kruczynski
Summary: This study demonstrates that the in-plane anisotropy of two-dimensional atomic crystals allows for the formation of a large number of different Janus monolayer structures, which can be used to engineer spin-orbit splitting of electronic bands. Moreover, the breaking of inversion symmetry leads to larger spin splittings and spontaneous dipole moments compared to other Janus dichalcogenides.
PHYSICAL REVIEW MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Aneesa J. Al-Ani, Patrick M. J. Szell, Zainab Rehman, Helen Blade, Helen P. Wheatcroft, Leslie P. Hughes, Steven P. Brown, Chick C. Wilson
Summary: This study presents the crystal structure of salbutamol oxalate and investigates its crystallographic disorder using X-ray crystallography and solid-state NMR. The study reveals that the chiral center of salbutamol is disordered over two positions and the tert-butyl group is rotating rapidly. The impact of crystallization conditions on the disorder is also explored.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Materials Science, Multidisciplinary
Matthew R. Wilkinson, Uriel Martinez-Hernandez, Chick C. Wilson, Bernardo Castro-Dominguez
Summary: Researchers have proposed using two-dimensional images as molecular representations to implement artificial intelligence in chemical applications, and evaluated the method's performance in classification and regression tasks. Through this approach, researchers found that images offer superior augmentation strategies, application of specialist network architectures, and transfer learning for improved performance without the need for specialized knowledge in cheminformatics.
JOURNAL OF MATERIALS RESEARCH
(2022)
Article
Materials Science, Multidisciplinary
Charles J. Sayers, Stefano Dal Conte, Daniel Wolverson, Christoph Gadermaier, Giulio Cerullo, Ettore Carpene, Enrico Da Como
Summary: This study investigates coherent phonons in the CDW compound 1T-TaSe2 using transient broadband reflectivity spectroscopy. Intense and long-lasting oscillations originating from the CDW superlattice reconstruction are observed, allowing for detailed analysis of their spectral dependence. The results reveal the coupling between CDW order and optical states, providing additional information not accessible through conventional steady-state techniques.
ADVANCED OPTICAL MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Yanmei He, Kaibo Zheng, Paul F. Henry, Tonu Pullerits, Junsheng Chen
Summary: This study investigates the size effect on the phase transition of MA lead bromide (MAPbBr3) by comparing the temperature-dependent neutron powder diffraction patterns of microcrystals and nanocrystals. The results provide persuasive evidence of the relationship between particle size and phase transition in perovskite crystals.
Article
Chemistry, Multidisciplinary
Lauren E. Hatcher, Mark R. Warren, Jonathan M. Skelton, Anuradha R. Pallipurath, Lucy K. Saunders, David R. Allan, Paul Hathaway, Giulio Crevatin, David Omar, Ben H. Williams, Ben A. Coulson, Chick C. Wilson, Paul R. Raithby
Summary: The authors developed a pump-multiprobe single-crystal X-ray diffraction technique to study the 3D structures of photoexcited solid-state species with millisecond-to-minute lifetimes. This method allows real-time monitoring of chemical processes and has potential applications in the design of new functional materials.
COMMUNICATIONS CHEMISTRY
(2022)
Article
Energy & Fuels
Ida Nielsen, Dj Dzodan, D. O. Ojwang, P. F. Henry, A. Ulander, G. Ek, L. Haggstrom, T. Ericsson, H. L. B. Bostrom, W. R. Brant
Summary: Researchers used neutron diffraction to explore the influence of water on the structure of Prussian white (PW) and discovered two different structures depending on the arrangement of water. They also found that removing water can modulate the structural distortion, providing guidance for designing new materials with improved electrochemical performance.
JOURNAL OF PHYSICS-ENERGY
(2022)
Article
Chemistry, Multidisciplinary
Robin R. Jones, Cornelia Miksch, Hyunah Kwon, Coosje Pothoven, Kristina R. Rusimova, Maarten Kamp, Kedong Gong, Liwu Zhang, Tim Batten, Brian Smith, Alejandro V. Silhanek, Peer Fischer, Daniel Wolverson, Ventsislav K. Valev
Summary: Against the backdrop of current healthcare and climate emergencies, surface enhanced Raman scattering (SERS) is gaining popularity as a technique for identifying and fingerprinting molecules in various substances. Researchers have investigated plasmonic nanohelices and found that they possess excellent SERS properties. These nanohelices can be produced at a low cost, exhibit strong and uniform Raman enhancement effects, and are anticipated to have broad applications in surface enhanced Raman spectroscopies and material science.
ADVANCED MATERIALS
(2023)
Article
Physics, Multidisciplinary
C. J. Sayers, G. Cerullo, Y. Zhang, C. E. Sanders, R. T. Chapman, A. S. Wyatt, G. Chatterjee, E. Springate, D. Wolverson, E. Da Como, E. Carpene
Summary: 1T-TaSe2 is believed to undergo a Mott metal-insulator transition in the CDW phase, characterized by a band gap observed across all momentum space. Previous studies suggested that the Mott phase is limited to the surface of bulk samples, but recent analysis on thin samples showed a rapid suppression of Mott-like behavior with increasing thickness. In this study, combined time-and angle-resolved photoemission spectroscopy and theoretical investigations were conducted on 1T-TaSe2. The experimental results confirmed the presence of a state above EF, previously attributed to the upper Hubbard band, and an overall band gap of around 0.7 eV at Gamma over bar. However, density functional theory calculations demonstrated that the origin of this state and the gap can be explained by band structure modifications induced by the CDW phase alone, without the need for Mott correlation effects.
PHYSICAL REVIEW LETTERS
(2023)
Article
Multidisciplinary Sciences
Kai Xu, Luis Perez-Fidalgo, Bethan L. Charles, Mark T. Weller, M. Isabel Alonso, Alejandro R. Goni
Summary: The exceptional optoelectronic properties of metal halide perovskites (MHPs) are attributed to the interplay between the metal-halide sublattice and the atomic or molecular cations enclosed in the voids. Cation dynamics play a crucial role in the structural behavior of MHPs under temperature, pressure, and composition changes. The repulsive steric interaction, rather than hydrogen bonding, is found to determine the structural stability of MHPs when cation dynamics are released. The understanding of the relationship between crystal structure and cationic dynamic disorder deepens our knowledge of MHPs and can contribute to improving optoelectronic devices based on these semiconductors.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Multidisciplinary
Matthew R. Wilkinson, Uriel Martinez-Hernandez, Laura K. Huggon, Chick C. Wilson, Bernardo Castro Dominguez
Summary: The crystal morphology of active pharmaceutical ingredients is crucial for product design, manufacturing, and pharmacological performance. Artificial intelligence offers immense potential for developing data-driven predictive models of crystal morphology, leading to improved accuracy and efficiency in pharmaceutical product design.
Article
Materials Science, Multidisciplinary
Yuhan Liu, Jeremy K. Cockcroft, Zizhen Chen, Michael A. Hayward, Paul F. Henry, Robin S. Perry, Robert G. Palgrave
Summary: Vacancy-ordered double perovskites A(2)BX(6) with isolated octahedra are ideal for studying perovskite structure-property relationships. We grew MA(2)TeCl(6) single crystals from solution and found two structural phase transitions as a function of temperature. Interestingly, we observed negative thermal expansion for the c-axis in phase II.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Ben A. Coulson, Lauren E. Hatcher
Summary: The polymorphic Pd(II)-nitrite complex undergoes photoinduced nitro -> nitrito linkage isomer switching in two crystal forms, with an unusually high maximum excited state population. The study provides insights into the factors governing the progress of isomer switching in the solid-state.
