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Rational Design of A-Site Cation for High Performance Lead-Free Perovskite X-Ray Detectors

Small (Weinheim an der Bergstrasse, Germany) 2024年第48期20卷 e2405071页

作者： Bobo Zhang Yuefeng Zhang Hang Su Endai Huang Zeqin Zhao Zhuo Xu Yucheng Liu Lu Zhang Zhiyuan Zeng Jiaxue You Alex K-Y Jen Shengzhong Frank Liu Key Laboratory of Applied Surface and Colloid Chemistry Ministry of Education Shaanxi Key Laboratory for Advanced Energy Devices Shaanxi Engineering Lab for Advanced Energy Technology International Joint Research Center of Shaanxi Province for Photoelectric Materials Science Institute for Advanced Energy Materials School of Materials Science and Engineering Shaanxi Normal University Xi'an 710119 China. Department of Materials Science and Engineering Hong Kong Institute for Clean Energy City University of Hong Kong Hong Kong SAR 999077 China. Key Laboratory of Photoelectric Conversion and Utilization of Solar Energy Dalian Institute of Chemical Physics Chinese Academy of Sciences Dalian Liaoning 116023 China. Research Institute of Medical and Biological Engineering Ningbo University Zhejiang 315211 China. Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of Sciences Beijing 100049 P. R. China.

Design of hypotoxic lead-free perovskites, e.g. Bismuth(Bi)-based perovskites, is much beneficial for commercialization of perovskite X-ray detectors due to their strong radiation absorption. Nevertheless, the design principles governing the selection of A-site cations for achieving high-performance X-ray detectors remain elusive. Here, seven molecules (methylamine MA, amine NH, dimethylbiguanide DGA, phenylethylamine PEA, 4-fluorophenethylamine p-FPEA, 1,3-propanediamine PDA, and 1,4-butanediamine BDA) and calculated their dipole moments and interaction strength with metal halide (BiI) are selected. The first-principles calculations and related spectroscopy measurements confirm that organic molecules (DGA) with large dipole moments can have strong interactions with perovskite octahedron and improve the carrier transport between the organic and inorganic clusters. Consequently, zero-dimensional single crystal (SC) (DGA)BiI∙HO is synthesized. The (DGA)BiI∙HO SCs demonstrate an exceptional carrier mobility-lifetime product of 6.55 × 10cm V, resulting in the high sensitivity of 5879.4 µCGy cm, featuring a low detection limit (4.7 nGy s) and remarkable X-ray irradiation stability even after 100 days of aging at a high electric field (100 V mm). Furthermore, the (DGA)BiI∙HO SCs for imaging, achieving a notable spatial resolution of 5.5 lp mm are applied. This investigation establishes a pathway for systematically screening A-site cations to design low-dimensional SCs for high-performance X-ray detection.

关键词： A‐site cation design imaging lead‐free perovskite ∙X‐ray detection

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Rising basin pressure drove the evolution of lake water ecosystems in cold and arid region: A diatom based analysis of three lakes in Inner Mongolia, China

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Ecological Indicators 2025年 176卷

作者： Qiuying Chen Rui Xue Ying Guo Xiuzhong Li Zhaokui Ni Hao Zhang Shengrui Wang North China Institute of Science and Technology School of Chemical Safety Langfang Hebei Province 065201 China Hebei Province Key Laboratory of Hazardous Chemical Safety and Control Technology Langfang Hebei Province 065201 China Zhuhai Branch of State Key Laboratory of Earth Surface Processes and Resource Ecology Advanced Institute of Natural Sciences Beijing Normal University at Zhuhai 519087 China Engineering Research Center of Ministry of Education on Groundwater Pollution Control and Remediation College of Water Sciences Beijing Normal University Beijing 100875 China

The water ecological environment of lakes in cold and arid regions is sensitive and fragile, with unclear historical driving factors of water ecosystem degradation. This study focused on Hulun Lake, Daihai Lake and Wuliangsuhai Lake in Inner Mongolia, China. Diatoms in sediment cores were utilized to understand their community changes over the past century. The relationship between basin pressures and diatom community structure was analyzed using redundancy analysis. The results indicated that the lakes experienced a transition from healthy aquatic vegetation growth to ecological degradation. Basin pressure from construction, livestock production, and population, along with climate factors like air temperature and evaporation, influenced the evolution of the diatom community structure. Urbanization and climate change exacerbated the degradation of lake water ecosystems. In recent years, urban-related human activities introduced new stressors, further altering diatom communities and aquatic ecosystems. Rising basin pressure has driven the evolution of aquatic ecosystems of the three lakes. These findings emphasize the crucial role of basin pressure in shaping lake ecosystems. Thus, in lake water environment management in cold and arid region, controlling watershed pressures like rational industrial planning and population growth regulation should be prioritized to foster ecosystem sustainability. This also has implications for integrated strategies to address climate change and human impacts, ensuring long-term sustainable development.

关键词： Lakes Aquatic ecology Sediments Diatoms Lake Basin Pressure (LBP) Climate change

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Exploring the high-temperature mechanical and thermal properties of U M 3 ( M = Ru, Rh, and Ir) based on density functional theory calculations

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Journal of Nuclear Materials 2025年 615卷

作者： Hao Quan Jia-Rui Qin Jian-Guo Si Wei-Dong Li Rui-zhi Qiu Bao-Tian Wang Institute of Theoretical Physics State Key Laboratory of Quantum Optics and Quantum Optics Devices Collaborative Innovation Center of Extreme Optics Shanxi University Taiyuan 030006 PR China Institute of High Energy Physics Chinese Academy of Sciences Beijing 100049 PR China Spallation Neutron Source Science Center Dongguan 523803 PR China Songshan Lake Materials Laboratory Dongguan Guangdong 523808 PR China Shenzhen Key Laboratory of Ultraintense Laser and Advanced Material Technology Center for Intense Laser Application Technology and College of Engineering Physics Shenzhen Technology University Shenzhen 518118 PR China Science and Technology on Surface Physics and Chemistry Laboratory Mianyang 621908 PR China

Uranium and uranium base compounds have important applications in nuclear engineering. Investigating the mechanical and thermal properties of them under extreme conditions of high-temperature or high-pressure are helpful for their realistic applications. Here, using the temperature-dependent effective potential (TDEP) method based on ab initio molecular dynamics (AIMD), the effect of temperature and/or anharmonicity on the elastic, vibrational, and thermal properties of U M 3 ( M = Ru, Rh, and Ir) was evaluated in the temperature range 0–1200 K. The generalized gradient approximation (GGA) without the U correction was found more advantageous than other calculation schemes. Both U-5 f and M -4(5)d electrons have evident occupations at the Fermi energy level and play critical roles in their electronic properties. The mechanical and dynamical stabilities were assessed by calculating elastic constants and phonon dispersions. Upon heating, both the elastic constants C ij and the elastic moduli exhibit an evident decreasing behavior. The temperature-dependent trends of bulk modulus B ( T ) calculated by the quasi-harmonic approximation (QHA) and TDEP are consistent. The phonon spectra at different temperatures demonstrate that U M ₃ remains dynamically stable even when the temperature reaches up to 1200 K. The phonon line shapes are only weakly broadening upon heating, indicating that the anharmonic effect in U M ₃ is limited. The thermal conductivities have been evaluated through the Boltzmann transport theory and the long phonon lifetime was found as a significant index for the high lattice thermal conductivity κ L of UIr 3 . Our research provides a theoretical basis for the study of mechanics, thermodynamics, and thermal transport properties of uranium-based heavy intermetallic compounds at high temperatures.

关键词： Heat conduction

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Deformation and damage behaviors of as-cast TiAl-Nb alloy during creep

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Progress in Natural Science:Materials International 2018年第5期28卷 618-625页

作者： Shunke Zhang Sugui Tian Xiaoxia Lv Huichen Yu Ning Tian Zehui Jiao Guoqi Zhao Deyuan Li Guizhou University of Engineering Science Shenyang University of Technology AECC Key Laboratory of Science and Technology on Materials Testing and Evaluation National Key Laboratory of Science and Technology on Advanced High Temperature Structure Materials AECC Beijing Institute of Aeronautical Materials

By means of creep properties measurement and microstructure observation,the deformation and damage behavior of an as-cast TiAl-Nb alloy during creep at temperature near 750°C were *** results showed that the microstructure of the alloy consisted of lamellarγ/α;phase,and the boundaries consisted ofγphase located in between lamellarγ/α;phases with different *** the latter stage of creep,the dislocation networks appeared in the interfaces of lamellarγ/α;phases due to the coarsening of them,which made the coherent interface transforming into the semi-coherent one for reducing its adhesive *** deformation mechanism of the alloy during creep was twinning and dislocations slipping within lamellarγ/α;*** the later period of creep,significant amount of dislocations plied up in the interfaces of lamellarγ/α;phases,which may cause the stress concentration to promote the initiation and propagation of the cracks along the lamellarγ/α;interfaces perpendicular to the stress ***,some cracks on the various cross-sections were connected by tearing edge along the direction of maximum shear stress,up to the creep fracture,which is considered to be the damage and fracture mechanism of alloy during creep at 750°C.

关键词： TiAl-Nb alloy Creep Dislocation network Deformation mechanism Fracture mechanism

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Experimental Evidence of Topological surface States in Mg3Bi2 Films Grown by Molecular Beam Epitaxy

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Chinese Physics Letters 2019年第11期36卷 65-69页

作者： Tong Zhou Xie-Gang Zhu Mingyu Tong Yun Zhang Xue-Bing Luo Xiangnan Xie Wei Feng Qiuyun Chen Shiyong Tan Zhen-Yu Wang Tian Jiang Yuhua Tang Xin-Chun Lai Xuejun Yang State Key Laboratory of High Performance Computing College of ComputerNational University of Defense TechnologyChangsha 410073 Science and Technology on Surface Physics and Chemistry Laboratory Jiangyou 621908 National Innovation Institute of Defense Technology Academy of Military Sciences PLA ChinaBeijing 100010 Institute of Materials China Academy of Engineering PhysicsMianyang 621700 College of Advanced Interdisciplinary Studies National University of Defense TechnologyChangsha 410073 Academy of Military Sciences PLA China Beijing 100010 Beijing Academy of Quantum Information Sciences Beijing 100084

Nodal line semimetal(NLS) is a new quantum state hosting one-dimensional closed loops formed by the crossing of two bands. The so-called type-Ⅱ NLS means that these two crossing bands have the same sign in their slopes along the radial direction of the loop, which requires that the crossing bands are either right-tilted or left-tilted at the same time. According to the theoretical prediction, Mg3Bi2 is an ideal candidate for studying the type-Ⅱ NLS by tuning its spin-orbit coupling(SOC). High-quality Mg3 Bi2 films are grown by molecular beam epitaxy(MBE). By in-situ angle resolved photoemission spectroscopy(ARPES), a pair of surface resonance bands around theГ point are clearly seen. This shows that Mg3Bi2 films grown by MBE are Mg(1)-terminated by comparing the ARPES spectra with the first principles calculations results. Moreover, the temperature dependent weak anti-localization effect in Mg3Bi2 films is observed under magneto-transport measurements, which shows clear two-dimensional(2 D) e-e scattering characteristics by fitting with the Hikami–Larkin–Nagaoka model. Therefore, by combining with ARPES, magneto-transport measurements and the first principles calculations, this work proves that Mg3Bi2 is a semimetal with topological surface states. This paves the way for Mg3Bi2 to be used as an ideal material platform to study the exotic features of type-Ⅱ nodal line semimetals and the topological phase transition by tuning its SOC.

关键词： bands topological terminated

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Disorder-induced pronounced magnetoresistive hysteresis in Josephson junctions

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Physical Review B 2025年第13期111卷 134513-134513页

作者： Yu Wu Daiqiang Huang Huanyu Zhang Anita Guarino Rosalba Fittipaldi Chao Ma Wenjie Hu Chang Niu Zhen Wang Weichao Yu Yuriy Yerin Antonio Vecchione Yang Liu Mario Cuoco Hangwen Guo Jian Shen State Key Laboratory of Surface Physics and Institute for Nanoelectronic Devices and Quantum Computing Fudan University Shanghai 200433 People's Republic of China Department of Physics Fudan University Shanghai 200433 People's Republic of China Shanghai Aerospace Control Technology Institute Shanghai 201109 People's Republic of China International Center for Quantum Materials Peking University Beijing 100871 People's Republic of China CNR-SPIN c/o Universitá di Salerno I-84084 Fisciano (SA) Italy College of Materials Science and Engineering Hunan University Changsha 410082 People's Republic of China Department of Physics University of Science and Technology of China Hefei Anhui 230026 Peoples Republic of China CNR-SPIN via del Fosso del Cavaliere 100 00133 Roma Italy Hefei National Laboratory Hefei 230088 People's Republic of China Zhangjiang Fudan International Innovation Center Fudan University Shanghai 201210 People's Republic of China Shanghai Research Center for Quantum Sciences Shanghai 201315 People's Republic of China Collaborative Innovation Center of Advanced Microstructures Nanjing 210093 People's Republic of China

The relation between superconductivity and time-reversal symmetry is one of the most fascinating problems in condensed-matter physics. Here we report an anomalous transport behavior in superconducting Josephson junctions induced by surface disorder. We fabricate vertical Josephson junctions using metallic superconductor (Al) and ion-bombarded Sr2RuO4. Below the superconducting transition temperature, we observe persistent magnetoresistive hysteresis behavior dependent on the disorder deposition time. Field- and temperature-dependent measurements suggest that the observed effects arise from disorder-induced anomalous flux in Sr2RuO4 which can be sensitively detected by superconducting Al. To account for the observed findings, we consider different physical scenarios such as interband surface pairing reconstruction, magnetic surface states, and vortex phases.

关键词： Hysteresis

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Ultrahigh energy storage density in epitaxial AlN/ScN superlattices

arXiv

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arXiv 2021年

作者： Jiang, Zhijun Xu, Bin Xiang, Hongjun Bellaiche, L. Moe Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter School of Physics Xi'an Jiaotong University Xi'an710049 China State Key Laboratory of Surface Physics Department of Physics Fudan University Shanghai200433 China Physics Department Institute for Nanoscience and Engineering University of Arkansas FayettevilleAR72701 United States Jiangsu Key Laboratory of Thin Films School of Physical Science and Technology Soochow University Suzhou215006 China Collaborative Innovation Center of Advanced Microstructures Nanjing210093 China Shanghai Qi Zhi Institute Shanghai200232 China

Dielectric and antiferroelectric materials are particularly promising for high-power energy-storage applications. However, relatively low energy density greatly hinders their usage in storage technologies. Here, we report first-principles-based calculations predicting that epitaxial and initially non-polar AlN/ScN superlattices can achieve an ultrahigh energy density of up to 200 J/cm3, accompanied by an ideal efficiency of 100%. We also show that high energy density requires the system being neither too close nor too far from a ferroelectric phase transition under zero electric field. A phenomenological model is further proposed to rationalize such striking features. Copyright © 2021, The Authors. All rights reserved.

关键词： Electric fields

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Lattice Mismatch at the Heterojunction of Perovskite Solar Cells

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Angewandte Chemie 2024年第29期136卷

作者： Yong Wang Dr. Dexu Zheng Prof. Kai Wang Dr. Qi Yang Prof. Jin Qian Dr. Jiaju Zhou Prof. Shengzhong (Frank) Liu Prof. Dong Yang Key Laboratory of Photoelectric Conversion and Utilization of Solar Energy Dalian Institute of Chemical Physics Chinese Academy of Sciences Dalian 116023 China Key Laboratory of Applied Surface and Colloid Chemistry Ministry of Education Shaanxi Engineering Lab for Advanced Energy Technology School of Materials Science and Engineering Shaanxi Normal University Xi'an 710119 China China National Nuclear Power Co. Ltd. Beijing 100097 China Huanjiang Laboratory School of Aeronautics and Astronautics Zhejiang University Hangzhou 310027 China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of Sciences Beijing 100049 China

Lattice mismatch significantly influences microscopic transport in semiconducting devices, affecting interfacial charge behavior and device efficacy. This atomic-level disordering, often overlooked in previous research, is crucial for device efficiency and lifetime. Recent studies have highlighted emerging challenges related to lattice mismatch in perovskite solar cells, especially at heterojunctions, revealing issues like severe tensile stress, increased ion migration, and reduced carrier mobility. This review systematically discusses the effects of lattice mismatch on strain, material stability, and carrier dynamics. It also includes detailed characterizations of these phenomena and summarizes current strategies including epitaxial growth and buffer layer, as well as explores future solutions to mitigate mismatch-induced issues. We also provide the challenges and prospects for lattice mismatch, aiming to enhance the efficiency and stability of perovskite solar cells, and contribute to renewable energy technology advancements.

关键词： perovskite solar cell lattice mismatch epitaxial growth buffer layer interfacial stress

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Cover Feature: Heterointerface engineering of ZnO/CdS Heterostructures through ZnS Layers for Photocatalytic Water Splitting (Chem. Eur. J. 69/2022)

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Chemistry – A European Journal 2022年第69期28卷

作者： Dr. Xu Guo Xing Liu Prof. Junqing Yan Prof. Shengzhong Frank Liu Key Laboratory of Applied Surface and Colloid Chemistry Ministry of Education Shaanxi Key Laboratory for Advanced Energy Devices Shaanxi Engineering Lab for Advanced Energy Technology School of Materials Science and Engineering Shaanxi Normal University Xi'an 710119 P. R. China iChem Dalian National Laboratory for Clean Energy Chinese Academy of Sciences Dalian 116023 P. R. China

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Quantum simulation of two-dimensional U(1) gauge theory in Rydberg atom arrays

arXiv

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arXiv 2022年

作者： Zhou, Zheng Yan, Zheng Liu, Changle Chen, Yan Zhang, Xue-Feng Department of Physics State Key Laboratory of Surface Physics Fudan University Shanghai200438 China Perimeter Institute for Theoretical Physics WaterlooON Canada Department of Physics HKU-UCAS Joint Institute of Theoretical and Computational Physics The University of Hong Kong Pokfulam Road Hong Kong School of Engineering Dali University Yunnan Dali671003 China Shenzhen Institute for Quantum Science and Technology Department of Physics Southern University of Science and Technology Shenzhen518055 China Department of Physics Center of Quantum Materials and Devices Chongqing University Chongqing401331 China Collaborative Innovation Center of Advanced Microstructures Nanjing210093 China

Simulating U(1) quantum gauge theories with spatial dimension greater than one is of great physical significance yet has not been achieved experimentally. Here we propose a simple realization of U(1) gauge theory on triangular lattice Rydberg atom arrays. Within experimentally accessible range, we find that the effective model well simulates various aspects of the U(1) gauge theory, such as emergence of topological sectors, incommensurability, and the deconfined Rokhsar-Kivelson point. Our proposal is easy to implement experimentally and exhibits pronounced quantum dynamics compared with previous proposals realizing U(1) and Z2 gauge theories. Copyright © 2022, The Authors. All rights reserved.

关键词： Topology

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