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第六届新型太阳能电池材料科学与技术学术研讨会

作者： Bin Li Jianfeng Lu Jingsong Sun Liangcong Jiang Yi-bing Cheng Jacek J.Jasieniak Department of Materials Science and Engineering & Monash Energy Materials and Systems Institute Monash University ARC Centre of Excellence in Exciton Science Department of Chemistry Monash University State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology

The so-called one-step and two-step sequential deposition methods are the most used in the fabrication of perovskite films suitable for deployment within solar cell structures. The one-step deposition approach relies on mixed metal and halide precursor solutions being processed under stringent conditions to control the extent of precipitation and, thus, to

关键词： Meso-structured PbI2 layers for use in two-step deposited metal halide perovskite solar cells

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Effect of Nb 5+ ion substitution on the dielectric property of BaTi 2 O 5 –Ba 6 Ti 17 O 40 eutectic prepared by a floating zone method

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materials Today: Proceedings 2019年 16卷 191-195页

作者： Keiji Shiga Stephan Wollstadt Hirokazu Katsui Takashi Goto Institute for Materials Research Tohoku University 2-1-1 Katahira Aoba-ku Sendai 980-8577 Japan TechnischeUniversität Darmstadt Materials Design by Synthesis Alarich-Weiss-Straße 2 64287 Darmstadt Germany State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology 122 Luoshi Road Wuhan China

Ti 4+ ions of the materials solidified from the BaTi 2 O 5 –Ba 6 Ti 17 O 40 (BT 2 –B 6 T 17 ) eutectic melt were substituted with 0–1.0 at% Nb 5+ ions ( C Nb = 0–1.0 at%) by a floating zone method, and the effects of C Nb on the microstructure, permittivity and Curie temperature of the BT 2 –B 6 T 17 eutectics were studied. The BT 2 –B 6 T 17 eutectics at C Nb = 0–1.0 at% consisted of BaTi 2 O 5 and Ba 6 Ti 17 O 40 . b - and a -axes of BaTi 2 O 5 and Ba 6 Ti 17 O 40 , respectively, were parallel to the growth directions of the BT 2 –B 6 T 17 eutectic. Ba 6 Ti 17 O 40 in the BT 2 –B 6 T 17 eutectic had the rod-like structure parallel to the growth direction in the matrix of BaTi 2 O 5 . As C Nb increased from 0 to 1.0 at%, the permittivity at room temperature increased from 70 to 214 and the Curie temperature decreased from 748 to 679 K.

关键词： BaTi 2 O 5 Ferroelectric Floating zone method Eutectic

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Inside Front Cover: Rh2S3/N-Doped Carbon Hybrids as pH-Universal Bifunctional Electrocatalysts for Energy-Saving Hydrogen Evolution (Small Methods 9/2020)

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Small Methods 2020年第9期4卷

作者： Zhang, Chaoxiong Liu, Haoxuan Liu, Yifan Liu, Xijun Mi, Yuying Guo, Ruijie Sun, Jiaqiang Bao, Haihong He, Jia Qiu, Yuan Ren, Junqiang Yang, Xiangjun Luo, Jun Hu, Guangzhi Institute for Ecological Research and Pollution Control of Plateau Lakes School of Ecology and Environmental Science Yunnan University KunmingYunnan650504 China Center for Electron Microscopy and Tianjin Key Lab of Advanced Functional Porous Materials Institute for New Energy Materials and Low-Carbon Technologies School of Materials Science and Engineering Tianjin University of Technology Tianjin300384 China Key Laboratory of Optoelectronic Devices and Systems of Ministry of Education and Guangdong Province College of Physics and Optoelectronic Engineering Shenzhen University Shenzhen518060 China State Key Laboratory of Coal Conversion Institute of Coal Chemistry Chinese Academy of Sciences TaiyuanShanxi030001 China State Key Laboratory of Advanced Processing and Recycling of Nonferrous Metals Lanzhou University of Technology Lanzhou730050 China

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Li, An, and Morozov Reply:

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Physical Review Letters 2019年第11期123卷 119602-119602页

作者： Guodong Li Qi An Sergey I. Morozov Hubei Key Laboratory of Theory and Application of Advanced Materials Mechanics School of Science Wuhan University of Technology Wuhan 430070 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 China Department of Chemical and Materials Engineering University of Nevada Reno Reno Nevada 89557 USA Department of Computer Simulation and Nanotechnology South Ural State University Chelyabinsk 454080 Russia

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Ethylenedioxythiophene-Based Small Molecular Donor with Multiple Conformation Locks for Organic Solar Cells with Efficiency of 19.3 %

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Angewandte Chemie 2024年第25期136卷

作者： Dr. Qian Xie Xiangmeng Deng Prof. Chaowei Zhao Dr. Jie Fang Dr. Dongdong Xia Yuefeng Zhang Feng Ding Jiali Wang Mengdi Li Zhou Zhang Dr. Chengyi Xiao Prof. Xunfan Liao Prof. Lang Jiang Dr. Bin Huang Dr. Runying Dai Prof. Weiwei Li Institute of Applied Chemistry Jiangxi Academy of Sciences Nanchang 330096 P. R. China Jiangxi Provincial Key Laboratory of Functional Molecular Materials Chemistry School of Chemistry and Chemical Engineering Jiangxi University of Science and Technology Ganzhou 341000 P. R. China National Engineering Research Center for Carbohydrate Synthesis/Key Lab of Fluorine and Silicon for Energy Materials and Chemistry of Ministry of Education Jiangxi Normal University Nanchang 330022 P. R. China Beijing Advanced Innovation Center for Soft Matter Science and Engineering & State Key Laboratory of Organic-Inorganic Composites Beijing University of Chemical Technology Beijing 100029 P. R. China Beijing National Laboratory for Molecular Sciences Key Laboratory of Organic Solids Institute of Chemistry Chinese Academy of Sciences Beijing 100190 China

Ternary organic solar cells (T-OSCs) represent an efficient strategy for enhancing the performance of OSCs. Presently, the majority of high-performance T-OSCs incorporates well-established Y-acceptors or donor polymers as the third component. In this study, a novel class of conjugated small molecules has been introduced as the third component, demonstrating exceptional photovoltaic performance in T-OSCs. This innovative molecule comprises ethylenedioxythiophene (EDOT) bridge and 3-ethylrhodanine as the end group, with the EDOT unit facilitating the creation of multiple conformation locks. Consequently, the EDOT-based molecule exhibits two-dimensional charge transport, distinguishing it from the thiophene-bridged small molecule, which displays fewer conformation locks and provides one-dimensional charge transport. Furthermore, the robust electron-donating nature of EDOT imparts the small molecule with cascade energy levels relative to the electron donor and acceptor. As a result, OSCs incorporating the EDOT-based small molecule as the third component demonstrate enhanced mobilities, yielding a remarkable efficiency of 19.3 %, surpassing the efficiency of 18.7 % observed for OSCs incorporating thiophene-based small molecule as the third component. The investigations in this study underscore the excellence of EDOT as a building block for constructing conjugated materials with multiple conformation locks and high charge carrier mobilities, thereby contributing to elevated photovoltaic performance in OSCs.

关键词： Organic solar cells ethylenedioxythiophene conformation locks power conversion efficiency

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Review on design and evaluation of environmental photocatalysts

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Frontiers of Environmental Science & Engineering 2018年第5期12卷 9-40页

作者： Xin Li Jun Xie Chuanjia Jiang Jiaguo Yu Pengyi Zhang College of Forestry and Landscape Architecture Key Laboratory of Energy Plants Resource and UtilizationMinistry of AgricultureKey Laboratory of Biomass Energy of Guangdong Regular Higher Education InstitutionsSouth China Agricultural UniversityGuangzhou 510642China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China School of Environment State Key Joint Laboratory of Environment Simulation&Pollution ControlTsinghua UniversityBeijing 100084China

Heterogeneous photocatalysis has long been considered to be one of the most promising approaches to tackling the myriad environmental ***,there are still many challenges for designing efficient and cost-effective photocatalysts and photocatalytic degradation systems for application in practical environmental *** this review,we first systematically introduced the fundamental principles on the photocatalytic pollutant ***,the important considerations in the design of photocatalytic degradation systems are carefully addressed,including charge carrier dynamics,catalytic selectivity,photocatalyst stability,pollutant adsorption and photodegradation ***,the underlying mechanisms are thoroughly reviewed,including investigation of oxygen reduction properties and identification of reactive oxygen species and key *** review in environmental photocatalysis may inspire exciting new directions and methods for designing,fabricating and evaluating photocatalytic degradation systems for better environmental remediation and possibly other relevant fields,such as photocatalytic disinfection,water oxidation,and selective organic transformations.

关键词： Photocatalytic degradation Environmental remediation Charge carrier dynamics Reactive oxygen species O_(2)reduction

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Machine-Learning Modeling for Ultra-Stable High-Efficiency Perovskite Solar Cells

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advanced Energy materials 2022年第41期12卷

作者： Yingjie Hu Xiaobing Hu Lu Zhang Tao Zheng Jiaxue You Binxia Jia Yabin Ma Xinyi Du Lei Zhang Jincheng Wang Bo Che Tao Chen 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 Institute for Advanced Energy Materials School of Materials Science and Engineering Shaanxi Normal University Xi'an 710119 China State Key Laboratory of Solidification Processing Northwestern Polytechnical University Xi'an 710072 China School of Chemistry and Materials Science Nanjing University of Information Science & Technology Nanjing 210044 China National Research Center for Physical Sciences at the Microscale CAS Key Laboratory of Materials for Energy Conversion School of Chemistry and Materials Science University of Science and Technology of China Hefei 230026 China Dalian National Laboratory for Clean Energy iChEM Dalian Institute of Chemical Physics Chinese Academy of Sciences Dalian 116023 China University of the Chinese Academy of Sciences Beijing 100039 China

Understanding the key factor driving the efficiency and stability of semiconductor devices is vital. To date, the key factor influencing the long-term stability of perovskite solar cells (PSCs) remains unknown because of the many influencing factors. In this work, through machine learning, the influences of five factors, including grain size, defect density, bandgap, fluorescence lifetime, and surface roughness, on the efficiency and stability of PSCs have been revealed. It is found that the bandgap has the greatest influence on the efficiency, and the surface roughness and grain size are most influential to the long-term stability. A mathematical model is given to predict efficiency based on fluorescence lifetime and bandgap. Guided by the model, four groups of experiments are conducted to confirm the machine-learning predictions and a PSC with 23.4% efficiency and excellent long-term stability is obtained, as manifested by retention of 97.6% of the initial efficiency after 3288 h aging in the ambient environment, the best stability under these conditions. This work shows that machine learning is an effective means to enrich semiconductor physical models.

关键词： high efficiency machine learning perovskite solar cells stability surface polarization

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Ductile deformation mechanism in semiconductor α-Ag_(2)S

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npj Computational materials 2018年第1期4卷 289-294页

作者： Guodong Li Qi An Sergey I.Morozov Bo Duan William A.Goddard III Qingjie Zhang Pengcheng Zhai G.Jeffrey Snyder State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology430070 WuhanChina Department of Materials Science and Engineering Northwestern UniversityEvanstonIL 60208USA Department of Chemical and Materials Engineering University of Nevada RenoRenoNV 89557USA Department of Computer Simulation and Nanotechnology South Ural State UniversityChelyabinsk 454080Russia Materials and Process Simulation Center California Institute of TechnologyPasadenaCA 91125USA

Inorganic semiconductor α-Ag_(2)S exhibits a metal-like ductile behavior at room temperature,but the origin of this high ductility has not been fully explored *** on density function theory simulations on the intrinsic mechanical properties of α-Ag_(2)S,its underlying ductile mechanism is attributed to the following three factors:(i)the low ideal shear strength and multiple slip pathways under pressure,(ii)easy movement of Ag–S octagon framework without breaking Ag−S bonds,and(iii)a metallic Ag−Ag bond forms which suppresses the Ag-S frameworks from slipping and holds them *** easy slip pathways(or easy rearrangement of atoms without breaking bonds)in α-Ag_(2)S provide insight into the understanding of the plastic deformation mechanism of ductile semiconductor materials,which is beneficial for devising and developing flexible semiconductor materials and electronic devices.

关键词： deformation ductile ductility

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Unveiling the Proton-Feeding Effect in Sulfur-Doped Fe−N−C Single-Atom Catalyst for Enhanced CO2Electroreduction

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Angewandte Chemie 2022年第32期134卷

作者： Dr. Shanyong Chen Xiaoqing Li Dr. Cheng-Wei Kao Tao Luo Kejun Chen Junwei Fu Prof. Chao Ma Hongmei Li Ming Li Prof. Ting-Shan Chan Prof. Min Liu Hunan Joint International Research Center for Carbon Dioxide Resource Utilization State Key Laboratory of Powder Metallurgy School of Physical and Electronics Central South University Changsha 410083 China Guangdong Key Laboratory of Environmental Pollution and Health School of Environment Jinan University Guangzhou 511443 China National Synchrotron Radiation Research Center Hsinchu 30076 Taiwan School of Materials Science and Engineering Hunan University Changsha 410082 China School of Materials Science and Engineering Zhengzhou University Zhengzhou 450001 China College of Science & Ministry-province jointly-constructed Cultivation Base for State Key Laboratory of Processing for Mom-ferrous Metal and Featured Materials & Key Lab. of Nonferrous Materials and New Processing Technology Guilin University of Technology Guilin 541004 China

Heteroatom-doping in metal-nitrogen-carbon single-atom catalysts (SACs) is considered a powerful strategy to promote the electrocatalytic CO 2 reduction reaction (CO 2 RR), but the origin of enhanced catalytic activity is still elusive. Here, we disclose that sulfur doping induces an obvious proton-feeding effect for CO 2 RR. The model SAC catalyst with sulfur doping in the second-shell of FeN 4 (Fe 1 −NSC) was verified by X-ray absorption spectroscopy and aberration-corrected scanning transmission electron microscopy. Fe 1 −NSC exhibits superior CO 2 RR performance compared to sulfur-free FeN 4 and most reported Fe-based SACs, with a maximum CO Faradaic efficiency of 98.6 % and turnover frequency of 1197 h −1 . Kinetic analysis and in situ characterizations confirm that sulfur doping accelerates H 2 O activation and feeds sufficient protons for promoting CO 2 conversion to *COOH, which is also corroborated by the theoretical results. This work deepens the understanding of the CO 2 RR mechanism based on SAC catalysts.

关键词： CO2 Electroreduction Heteroatom Doping Proton-Feeding Effect Reaction Kinetics Single-Atom Catalysts

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Kinetics Controlled Perovskite Crystallization for High Performance Solar Cells

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Angewandte Chemie 2024年第14期136卷

作者： Jinghao Ge Ran Chen Yabin Ma Yunfan Wang Yingjie Hu Lu Zhang Fengzhu Li Xiaokang Ma Sai-Wing Tsang 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 No. 620 West Chang'an Avenue Xi'an 710119 China These authors contributed equally. School of Materials Science and Engineering Xi'an University of Science and Technology No. 67 Xiaozhai East Road Xi'an Shaanxi 710054 PR China Department of Materials Science and Engineering Hong Kong Institute for Clean Energy City University of Hong Kong Tat Chee Avenue Kowloon Hong Kong SAR China State Key Laboratory of Solidification Processing Northwestern Polytechnical University No. 127 Laodong West Road Xi'an Shaanxi 710072 PR China Dalian National Laboratory for Clean Energy iChEM Dalian Institute of Chemical Physics Chinese Academy of Sciences No.457 Zhongshan Road Shahekou District Dalian 116023 China University of the Chinese Academy of Sciences No. 80 Zhongguancun East Road Beijing 100039 China

The power conversion efficiencies (PCEs) of perovskite solar cells have recently developed rapidly compared to crystalline silicon solar cells. To have an effective way to control the crystallization of perovskite thin films is the key for achieving good device performance. However, a paradox in perovskite crystallization is from the mismatch between nucleation and Oswald ripening. Usually, the large numbers of nucleation sites tend to weak Oswald ripening. Here, we proposed a new mechanism to promote the formation of nucleation sites by reducing surface energy from 44.9 mN/m to 36.1 mN/m, to spontaneously accelerate the later Oswald ripening process by improving the grain solubility through the elastic modulus regulation. The ripening rate is increased from 2.37 Åm ⋅ s −1 to 4.61 Åm ⋅ s −1 during annealing. Finally, the solar cells derived from the optimized films showed significantly improved PCE from 23.14 % to 25.32 %. The long-term stability tests show excellent thermal stability (the optimized device without encapsulation maintaining 82 % of its initial PCE after 800 h aging at 85 °C) and an improved light stability under illumination. This work provides a new method, the elastic modulus regulation, to enhance the ripening process.

关键词： Perovskite solar cells Oswald ripening crystallization kinetics nucleation surface energy

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