Article
Chemistry, Physical
Cagatay Yamcicier
Summary: Hydrogen storage is an area of great interest to researchers due to its renewable and clean energy properties. This study investigates the physical properties of X2MgH4 (X = K, Rb, and Cs) compounds using first-principles calculations, focusing on elastic, optical, structural, electronic, phononic, and thermoelectric properties. The findings reveal that these compounds have insulating electronic properties and satisfy the Born stability condition, with X2MgH4 (X = K, Rb, and Cs) crystals being dynamically stable. The gravimetric hydrogen storage capacities of these compounds range from 1.37 wt% to 3.8 wt%. Additionally, the thermoelectric and optical properties of X2MgH4 (X = K, Rb, and Cs) compounds are discussed.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Materials Science, Multidisciplinary
Shugo Suzuki, Makoto Tsuyama
Summary: The study investigates the structural, electronic, and optical properties of Pt-based vacancy-ordered double perovskites with different cations and halides. It reveals that K2PtI6 has the largest band gap, making it a promising absorber material for thin-film solar cells.
Article
Chemistry, Physical
Dezhen Fang, Yanping Wang, Haining Liu, Huifang Zhang, Xiushen Ye, Quan Li, Jun Li, Zhijian Wu
Summary: The research investigates the precipitation flotation process for Rb+ and Cs+ extraction using ammonium phosphowolframate and cetyltrimethylammonium bromide, achieving an extraction efficiency of almost 100% under optimized conditions. DFT calculations and IGM reveal non-covalent interactions involved in the extraction process, while analysis of the flotation mechanism shows electrostatic attraction as the main force. This method shows great potential for Rb+ and Cs+ separation in salt lake brine treatment.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2021)
Article
Physics, Applied
Matthew P. Erodici, Polly J. Pierone, Noor Titan Putri Hartono, Juanita Hidalgo, Barry Lai, Tonio Buonassisi, Juan-Pablo Correa-Baena, Meng-Ju Sher
Summary: Adding both Rb and Cs simultaneously to hybrid perovskite samples has been shown to increase carrier mobility and lifetime significantly, leading to improved charge transport properties. The roles of Rb and Cs in a perovskite crystal are similar when added alone, but their co-addition results in homogenized halide distribution, which is correlated with enhanced charge transport.
APPLIED PHYSICS LETTERS
(2021)
Article
Multidisciplinary Sciences
Thanh Duy Cam Ha, Heehyeon Lee, Yeo Kyung Kang, Kyunghan Ahn, Hyeong Min Jin, In Chung, Byungman Kang, Youngtak Oh, Myung-Gil Kim
Summary: This study demonstrates precise multiscale structural control of chalcogenide aerogels through self-assembly of thiostannate motifs. The aerogels showed varying specific surface areas, coordination networks, crystallinity, and porous structures. They also successfully adopted the structure and ion-exchange principles of two-dimensional metal sulfides.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Inorganic & Nuclear
Daniel Friedrich, Michael A. Quintero, Shiqiang Hao, Craig C. Laing, Christopher Wolverton, Mercouri G. Kanatzidis
Summary: RbInSn2S6 and CsInSn2S6 are yellow two-dimensional semiconductors with unique crystal structures. They have similar optical band gaps and work functions. The effective mass values of these materials exhibit significant anisotropy in different crystallographic directions.
INORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Ulku Bayhan
Summary: The structural, elastic, anisotropic, and lattice dynamical properties of cubic perovskite compounds XInO3 (X = K, Rb, and Cs) were investigated using first-principles calculations. The electronic band structures and state densities revealed that the materials exhibited half-metallicity properties. The presence of O p-d states near the Fermi level contributed to the observed half-metallic behavior. In addition, polycrystalline properties such as bulk, Young, and shear moduli, as well as Pugh and Poisson ratios, were determined. The compounds showed ductility behavior due to these characteristics. This study sheds light on future works as it is the first investigation of XInO3 (X = K, Rb, and Cs) compounds.
Article
Chemistry, Multidisciplinary
Di Xu, Xin Liu, Ji Wang, Qian-Qian Liu, Rong Fu, He Lin, Ling Chen, Li-Min Wang, Li-Ming Wu
Summary: In this study, two novel AZnP(3)O(9) glasses were obtained by melting single crystals with identical compositions. It was found that these glasses exhibit structural inheritance within a range of 5 angstroms from their single crystal counterparts, revealing the atomic structural origin of the fictive temperature for the first time.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Tong Chang, Qilin Wei, Ruosheng Zeng, Sheng Cao, Jialong Zhao, Bingsuo Zou
Summary: In this study, a series of all inorganic lead-free Te-doped CsZrCl vacancy-ordered perovskites were successfully synthesized, resulting in green-yellow STE emission with high PLQY. Investigation into the effects of A-site Rb alloying revealed that a small amount of Rb+ can improve the luminescence intensity and moisture stability. The study provides insights into the emissive mechanism induced by Te ion doping and offers potential for improving environmental stability for further applications.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Thermodynamics
Huiqin Yin, Jinliang Song, Wenguan Liu, Biao Hu
Summary: Thermodynamic evaluation of the AClx-MgCl2 systems was conducted using the CALPHAD technique. The substitutional solution model and associate solution model were used to describe the liquid phase, while the intermediate phases were treated as stoichiometric compounds. The optimized thermodynamic parameters based on available data were in good agreement with experimental results. This study enriches the thermodynamic database of molten salts and provides an additional model choice for optimizing and designing molten salt systems.
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
(2022)
Article
Electrochemistry
Ruqian Lian, Chunyu Zhao, Dashuai Wang, Dongxiao Kan, Yizhan Wang, Xudong Wang, Chunzhong Wang, Gang Chen, Yingjin Wei
Summary: Inorganic-organic crystal materials like K2C6O6 show great potential as electrode materials for metal ion batteries. Through first-principles calculations, it has been found that K2C6O6 exhibits flexible structures and excellent K ion storage properties, allowing for fast K ion migration and high rate capability in K ion batteries.
ELECTROCHIMICA ACTA
(2021)
Article
Chemistry, Inorganic & Nuclear
Rui-Ying Ren, Chang-Yuan Su, Ting Shao, Zhi-Xu Zhang, Pei-Zhi Huang, Yi Zhang, Qiang-Qiang Jia, Da-Wei Fu
Summary: In this study, the dehydration-activated solid-to-solid structural phase transition of a two-dimensional hybrid double perovskite was successfully achieved. The material exhibited good stability in multiple reversible switching during dielectric tests, contributing to the further exploration of properties and potential applications of hybrid double perovskites.
DALTON TRANSACTIONS
(2022)
Article
Environmental Sciences
M. Saniewski, P. Wietrzyk-Pelka, T. Zalewska, M. H. Wegrzyn
Summary: Lichens are good indicators of contamination in the environment, and this study investigated the levels of Cs-137 and (4) K in different lichen species across a gradient from northern Norway to southern Poland. The results show that C. arbuscula can be used to assess contamination and create spatial maps of radionuclide deposition.
Article
Agronomy
Jie Huang, Fengyan Wu, Tiesong Hu, Luguang Liu, Jing Wang, Xin Wang, Changmei Liang, Jia Liu
Summary: The study revealed that the abrupt alternation of drought and flood had a significant impact on rice growth, nutrient uptake, and yield formation. Under the DFAA stresses, rice showed changes in growth characteristics and nutrient use efficiency, with increased specific absorption rates of N, P, and K but decreased NUE, PUE, and KUE. The effective utilization of N was found to be a key limiting factor, and the cumulative effect of drought and flood was weakened by their interaction.
Article
Engineering, Chemical
Changjiang Liu, Ling Guo, Xiaocong Tong
Summary: The hydrothermal decomposition of K-feldspar in Cs-included NaOH and KOH solutions was studied. The solid products showed high selectivity for Cs, resulting in the synthesis of pollucite crystals with low substitution of Na or K. Cs distribution between solid and solution followed a linear trend, indicating Cs enrichment during hydrothermal processing. This study demonstrates the immobilization of radioactive Cs from polluted silicates, including feldspar minerals.
ADVANCED POWDER TECHNOLOGY
(2022)
Article
Chemistry, Multidisciplinary
Jianbo Wu, Xinyuan Zhang, Ziyang Wang, Lishan Liang, Xinyi Niu, Qianwen Guan, Shihai You, Junhua Luo
Summary: In this study, we propose a strategy to modulate the symmetry of MAPbI(3) single crystals (SCs) by heterogeneously integrating them with silicon (Si) wafers, and demonstrate the first self-powered near-infrared (NIR) polarization-sensitive photodetection using MAPbI(3) SCs. The MAPbI(3)/Si heterostructures show high crystalline quality and a solid interfacial connection. The built-in electric field at the MAPbI(3)/Si heterostructure interface generates polar symmetry, enabling directional transport of photogenerated carriers and making the heterostructures highly polarization-sensitive.
MATERIALS HORIZONS
(2023)
Article
Chemistry, Multidisciplinary
Wentao Wu, Xiaoying Shang, Zhijin Xu, Huang Ye, Yunpeng Yao, Xueyuan Chen, Maochun Hong, Junhua Luo, Lina Li
Summary: Organic-inorganic hybrid perovskites show unique semiconducting properties and flexible crystal structures, making them promising candidates for circularly polarized light (CPL) detection. This study demonstrates the fabrication of chiral multilayered perovskites with enhanced photoconduction and significant near-infrared CPL response. The findings provide a benchmark for the development of efficient and simple chemical design of NIR CPL detection.
Article
Chemistry, Physical
Dongying Fu, Wenjuan Jia, Shichao Wu, Junli Chang, Zhuo Chen, Junhua Luo
Summary: Two-dimensional Dion-Jacobson hybrid perovskites have high stability and excellent carrier transport performance, but current photodetectors based on them are limited to the ultraviolet and visible wavebands. This study reports the first realization of ultraviolet-visible-NIR photodetection in the bulk single crystal of a 2D bilayered DJ hybrid perovskite. The crystal exhibits efficient photodetection from ultraviolet and visible to near-infrared wavebands with a high on/off ratio of current exceeding 103.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Physical
Beibei Wang, Wuqian Guo, Yi Liu, Haojie Xu, Qingshun Fan, Lina Hua, Liwei Tang, Shiguo Han, Junhua Luo, Zhihua Sun
Summary: Two-dimensional hybrid perovskites, especially ferroelectric crystals, have great potential in optoelectronics as polarized light detectors. In this study, exceptional polarization responses to polarized light were achieved in ferroelectric crystals of (isopentylammonium)(2)CsPb2Br7. The alternate packing of organic spacers and inorganic sheets leads to its intrinsic optical dichroism, creating sinusoidal photocurrents with a polarization ratio of approximately 1.2 at 10 V bias. Notably, a large polarization ratio of approximately 7.2 can be obtained based on its bulk photovoltaic effect at zero bias (self-powered mode). This work sheds light on optimizing photoelectric behaviors in targeted optoelectronic device applications through ferroelectric bulk photovoltaic effect.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Shiguo Han, Lina Li, Chengmin Ji, Xitao Liu, Guan-E Wang, Gang Xu, Zhihua Sun, Junhua Luo
Summary: A new photoferroelectric material has been developed, which can provide a controllable power source for self-powered gas sensing of NO2 at room temperature. It exhibits extremely fast response/recovery speeds and high sensitivity, outperforming typical inorganic systems. This work sheds light on the development of self-powered sensing systems and expands the functionalities of photoferroelectrics.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Multidisciplinary Sciences
Yi Liu, Yu Ma, Xi Zeng, Haojie Xu, Wuqian Guo, Beibei Wang, Lina Hua, Liwei Tang, Junhua Luo, Zhihua Sun
Summary: The lead-free halide double perovskite (CHMA)(2)CsAgBiBr7 with high-temperature antiferroelectric behaviors and excellent anti-breakdown property was successfully synthesized. The material exhibited high polarization and Curie temperature, and the dynamic motional ordering of the organic cation contributed to the high breakdown field strength and fatigue endurance. This study opens up possibilities for exploring new green candidates for anti-breakdown energy storage capacitors.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Jianbo Wu, Shihai You, Panpan Yu, Qianwen Guan, Zeng-Kui Zhu, Zhou Li, Chang Qu, Haiqing Zhong, Lina Li, Junhua Luo
Summary: In this study, self-powered X-ray detection was successfully realized in a chiral-polar 2D lead-free halide double perovskite material, (R-MPA)(4)AgBiI8. The material displayed significant spontaneous electric polarization, resulting in a large polar photovoltage of 0.36 V, which facilitated the separation and transport of X-ray-generated carriers for self-powered detection. X-ray detectors based on high-quality single crystals of this material exhibited high sensitivity (46.3 mu CGy(-1) cm(-2)) and ultralow detection limit (85 nGy s(-1) at zero bias), outperforming current 2D lead-free halide double perovskite detectors. This work provides insights for the future design of green self-powered radiation detectors.
ACS ENERGY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Ruiqing Li, Zirui Wang, Tingting Zhu, Huang Ye, Jianbo Wu, Xitao Liu, Junhua Luo
Summary: Bulk photovoltage has been achieved by introducing stereochemically active lone pair perovskitizer to construct a polar tri-layered hybrid perovskite, leading to highly sensitive polarized photodetection in self-powered mode.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Xiaoqi Li, Fen Zhang, Zengshan Yue, Qianxi Wang, Zhihua Sun, Junhua Luo, Xitao Liu
Summary: A homogeneous solid solution of halide perovskite photoferroelectric PA(2)FA(x)MA(1-x)Pb(2)Br(7) has been developed, demonstrating tunable Curie temperature and excellent optoelectrical features. By adjusting the component to x=0.7, the crystal shows ultrahigh pyroelectric coefficient and achieves a self-powered and sensitive photodetector with boosted responsivity and detectivity.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Huang Ye, Yu Peng, Meng Wei, Xinyuan Zhang, Tingting Zhu, Qianwen Guan, Lina Li, Shuang Chen, Xitao Liu, Junhua Luo
Summary: This study successfully designed and synthesized a new material, SBFP, with chiral polar structures and a narrow bandgap, which exhibits the visible-near infrared optoelectronic conversion effect and enables broad-spectrum circularly polarized light detection without an external absorber or specific laser source.
CHEMISTRY OF MATERIALS
(2023)
Article
Chemistry, Inorganic & Nuclear
Hao Chen, Shaobin Zhang, Bo Chen, Yaoguo Shen, Junhua Luo
Summary: A new crystal, C10H10ClNO3, was synthesized and it exhibits a high birefringence of 0.345@550 nm and excellent thermal stability. Structural analysis and theoretical calculations reveal that the isoquinoline carboxylic acid contributes to the optical anisotropy, making it a promising candidate for birefringence-active materials.
INORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Multidisciplinary Sciences
Yanqiang Li, Qingchen Wu, Zheshuai Lin, Youchao Liu, Yang Zhou, Xin Chen, Minjuan Li, Maochun Hong, Junhua Luo, Sangen Zhao
Summary: This study successfully synthesized Cs3C6N9·H2O crystal with bi-functional optical responses and found that it exhibits excellent nonlinear optical and linear optical anisotropic responses, demonstrating its great potential as a bi-functional optical crystal.
FUNDAMENTAL RESEARCH
(2023)
Article
Nanoscience & Nanotechnology
Huajie Wu, Zhijin Xu, Xin Dong, Lei Wang, Jing Liang, Tianqi Chen, Xiaoqi Li, Lina Li, Junhua Luo
Summary: Hybrid perovskites, particularly two-dimensional (2D) perovskites, have shown great potential in polarization-sensitive photodetection. By introducing bifunctional alkylammonium, a new type of 2D perovskite (beta-Ala)(4)PbBr4 with intrinsic anisotropy and strong optical dichroism has been designed, demonstrating efficient polarization-sensitive detection.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Qianwen Guan, Huang Ye, Shihai You, Zeng-Kui Zhu, Hang Li, Xitao Liu, Junhua Luo
Summary: This study utilizes chirality to induce radiation photovoltaics in multilayered chiral OIHPs, achieving efficient self-driven X-ray detection with high sensitivity and low detection limit.
Article
Chemistry, Multidisciplinary
Shihai You, Panpan Yu, Tingting Zhu, Qianwen Guan, Jianbo Wu, Hongliang Dai, Haiqing Zhong, Zeng-Kui Zhu, Junhua Luo
Summary: This work successfully creates a pair of two-dimensional chiral hybrid perovskites using a half substitution method, demonstrating their potential application in chiroptical activity.
MATERIALS HORIZONS
(2023)
