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SSRN 2023年

作者： Li, Haifan Wang, Yuzhao Gao, Jingxin Wang, Vei Nie, Kaiqi Meng, Fanqi Xu, Xiaoguang Jiang, Yong Chen, Nuofu Sun, Yifei Chen, Jikun School of Materials Science and Engineering University of Science and Technology Beijing Beijing100083 China Department of Chemistry City University of Hong Kong Kowloon999077 Hong Kong School of Renewable Energy North China Electric Power University Beijing102206 China Department of Applied Physics Xi’an University of Technology Xi’an710054 China Beijing Synchrotron Radiation Facility Institute of High Energy Physics Chinese Academy of Sciences Beijing100049 China State Key Laboratory of New Ceramics and Fine Processing China Shenzhen Research Institute Xiamen University Shenzhen518057 China

To extend the merit in regulating the electronic structure and functionalities of the 3d-band correlated oxides (e.g., rare-earth nickelates), exploring new tuning freedoms beyond the presently known perspectives, such as band gap regulation and Mottronic orbital filling, is vital. Herein, we demonstrate the unexpected improvement in the electrocatalytic activity of oxygen evolution reaction (OER) for the rare-earth co-occupied SmxNd1-xNiO3 via manipulating its configurational entropy. Compared to the one with single rare-earth composition, the rare-earth co-occupied nickelates exhibit more irregularly aligned NiO6 octahedrons, and this results in the more centralized p-d hybridization near the Fermi energy to promote the activity of the lattice oxygen (OL). The effective elevation in the p-d hybridization via rare-earth co-occupation is unearthed through the density function theory calculation and near-edge X-ray absorption fine structure spectrum. These resultant band reconfigurations largely enhance the OER electrocatalytic activity, in particular the current density of Sm0.5Nd0.5NiO3 at 1.67V is nearly doubled while its activity of OL is surprisingly enhanced by 300% compared to the well investigated OER electrocatalyst NdNiO3, as supported by theoretical calculations and electrochemical characterizations. Such enhancement via rare-earth co-occupation is further confirmed to be intrinsic by the electrochemical surface area measurements, and is also achieved in bulk samples. This brings in an additional freedom to optimize the electrocatalysis reactivity of ReNiO3 from the perspective of configurational entropy, in addition to the already known methods such as iso-valent or aliovalent doping, defect controlling, and strain engineering. © 2023, The Authors. All rights reserved.

关键词： Rare earths

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Unveiling the role of ZrO2 in boosting CO2 hydrogenation performance over Cu-In2O3 catalysts

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Fuel 2025年 400卷

作者： Xie, Shangzhi Xu, Aihao Zhao, Jiajian Yang, Yanjuan Luo, Xintian Xu, Jing Guangxi Key Laboratory of Petrochemical Resource Processing and Process Intensification Technology School of Chemistry and Chemical Engineering Guangxi University Nanning530004 China State Key Laboratory of Featured Metal Materials and Life-cycle Safety for Composite Structures School of Chemistry and Chemical Engineering Guangxi University Nanning530004 China State Key Laboratory of Green Chemical Engineering and Industrial Catalysis School of Chemical Engineering East China University of Science and Technology Shanghai200237 China

Cu-In2O3 catalysts have attracted considerable attention due to their excellent methanol selectivity and stability, but the catalyst activity remains a challenge. In this study, a series of CuInZrx catalysts with varying Zr contents were synthesized via a co-precipitation method. At 260 °C, both methanol selectivity and space–time yield exhibited a volcano-like trend with increasing Zr content, with CuInZr5 achieving the optimal performance (67.3 % and 99.9 gMeOH·kgcat-1·h−1, respectively). Notably, compared to the CuIn catalyst, CuInZr5 demonstrated a 2.1-fold and 2.3-fold enhancement in CO2 conversion and methanol yield at 260°C, respectively. H2-TPD and CO2-TPD analyses revealed the formation of Cu-ZrO2 and In2O3-ZrO2 interfacial active sites and their distinct adsorption behaviors upon the addition of Zr to CuIn catalyst, while XPS analysis further confirmed strong interactions between In2O3 (or Cu) and ZrO2. These results indicate that the introduction of Zr into the CuIn catalyst creates new interfacial active sites of Cu-ZrO2 and In2O3-ZrO2, which exhibit distinct activities and selectivities for CO2 conversion and methanol production. The optimal Zr content balances the contributions of these active sites, maximizing methanol yield. This study highlights the crucial role of Zr in regulating the types and abundance of interfacial active sites in CuInZrx catalysts, offering valuable insights for the rational design of efficient Cu-based catalysts for CO2 hydrogenation to methanol. © 2025

关键词： Interfaces (materials)

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Light-Assisted Semi-Hydrogenation of 1,3-Butadiene with Water

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Angewandte Chemie (International ed. in English) 2022年第38期61卷 e202210573页

作者： Qi-Chen Wei Ya Chen Zhao Wang Da-Zhuang Yu Wei-Hao Wang Jian-Quan Li Li-Hua Chen Yu Li Bao-Lian Su Laboratory of Living Materials the State Key Laboratory of Advanced Technology for Material Synthesis and Processing Wuhan University of Technology Wuhan 430070 Hubei China. Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory Guangdong Laboratory Xianhu Hydrogen Valley Foshan 528200 P. R. China. Laboratory of Inorganic Materials Chemistry (CMI) University of Namur 61 rue de Bruxelles 5000 Namur Belgium.

Sustainable processes for semi-hydrogenation of alkynes/alkadienes impurities in alkenes feedstocks are in great demand in industry as the utilization of excessive hydrogen, high temperature and unsatisfactory alkenes selectivity of the current thermo-catalytic route, however, their development is still challenging. Herein, we innovate a light-assisted semi-hydrogenation process in gas-feed fixed bed reactor, with water as hydrogen atom source by in situ photocatalysis. Using Pd/TiO as model catalyst, this process shows an excellent catalytic performance for the semi-hydrogenation of 1,3-butadiene, with 100 % of butenes selectivity at ≈99 % of conversion over 180 h of reaction at ambient temperature driven by 66 mW cm of irradiation intensity. This light-driven, H -free, ambient temperature semi-hydrogenation process, with superior performance to that of thermocatalytic route, shows attractive to bring an evolution in industrial hydrogenation technology to an economical and safe way.

关键词： 1,3-Butadiene Pd/TiO2 Photocatalysis Semi-Hydrogenation Unsaturated Hydrocarbons

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Corrigendum to “Microstructure and mechanical properties of CoCrFeNiTa high entropy alloy prepared by mechanical alloying and spark plasma sintering” [materials Characterization 210 (2024) 113826]

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materials Characterization 2024年 211卷

作者： Xingchang Tang Yuanyuan Hou Canglong Wang Yiwen Liu Zhaocang Meng Yinlong Wang Ganghu Cheng Weilian Zhou Peiqing La State Key Laboratory of Advanced Processing and Recycling of Nonferrous Metals Lanzhou University of Technology Lanzhou 730050 China School of Materials Science and Engineering Lanzhou University of Technology Lanzhou 730050 China Institute of Modern Physics Chinese Academy of Sciences Lanzhou 730000 China Advanced Energy Science and Technology Guangdong Laboratory Huizhou 516000 China School of Nuclear Science and Technology University of Chinese Academy of Sciences Beijing 100049 China School of Nuclear Science and Technology Lanzhou University Lanzhou 730000 China

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Self-Accelerating Diels–Alder Reaction for Preparing Polymers of Intrinsic Microporosity

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Angewandte Chemie 2023年第24期135卷

作者： Dr. Yuanxing Zhang Prof. Qingquan Tang Dr. Zi Li Prof. Ke Zhang Laboratory of Polymer Physics and Chemistry Beijing National Laboratory for Molecular Sciences Institute of Chemistry The Chinese Academy of Sciences Beijing 100190 China University of Chinese Academy of Sciences Beijing 100049 China College of Materials Science and Engineering State Key Laboratory of New Textile Materials & Advanced Processing Technology Wuhan Textile University Wuhan Hubei 430200 China

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Thermal decomposition kinetics of flame retardant polybutylene terephthalate matrix composites 2nd

Thermal decomposition kinetics of flame retardant polybutyle...

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2nd Academic Conference on Frontiers in advanced materials, ACFAM 2018

作者： Xu, Jianlin Ma, Bingxue Kang, Chenghu Xu, Chengcheng Chen, Zhou Lin, Yonggang State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metals Lanzhou University of Technology Lanzhou730050 China Baiyin Research Institute of Novel Materials Lanzhou University of Technology Baiyin730900 China

ISBN: (纸本)9783035714753

The thermal decomposition kinetics of polybutylene terephthalate (PBT) and flame-retardant PBT (FR-PBT) were investigated by thermogravimetric analysis at various heating rates. The kinetic parameters were determined by using Kissinger, Flynn-Wall-Ozawa and Friedman methods. The y(α) and z(α) master plots were used to identify the thermal decomposition model. The results show that the rate of residual carbon of FR-PBT is higher than that of PBT and the maximum mass loss rate of FR-PBT is lower than that of PBT. The values of activation energy of PBT (208.71 kJ/mol) and FR-PBT (244.78 kJ/mol) calculated by Kissinger method were higher than those of PBT (195.54 kJ/mol) and FR-PBT (196.00 kJ/mol) calculated by Flynn-Wall-Ozawa method and those of PBT (199.10 kJ/mol) and FR-PBT (206.03 kJ/mol) calculated by Friedman methods. There is a common phenomenon that the values of activation energy of FR-PBT are higher than that of PBT in different methods. The thermal decomposition reaction models of the PBT and FR-PBT can be described by Avarami-Erofeyev model (A1). © 2019 Trans Tech Publications Ltd, Switzerland.

关键词： Kinetics

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Enhanced in-plane polarization in two-dimensional GaInS 3 via strain engineering for self-powered photodetector

Transactions of Materials Research

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Transactions of materials Research 2025年第1期1卷

作者： Zongdong Sun Jie Liu Na Zhang Wanfu Shen Chunguang Hu Liang Li Feng Yan Fangfang Xia Huiqiao Li Yuan Li Tianyou Zhai State Key Laboratory of Materials Processing and Die & Mould Technology School of Materials Science and Engineering Huazhong University of Science and Technology (HUST) Wuhan 430074 China State Key Laboratory of Precision Measuring Technology and Instruments Tianjin University Tianjin 300072 China Key Laboratory of Materials Physics Anhui Key Laboratory of Nanomaterials and Nanotechnology Institute of Solid State Physics Hefei Institutes of Physical Science Chinese Academy of Sciences Hefei 230031 China Department of Applied Physics Research Institute of Intelligent Wearable Systems The Hong Kong Polytechnic University Kowloon 999077 Hong Kong China Research Institute of Huazhong University of Science and Technology in Shenzhen Shenzhen 518057 China Optics Valley Laboratory Wuhan 430074 China

Self-powered two-dimensional (2D) polarization-sensitive photodetectors have propelled the advancement of the next-generation optoelectronics. However, currently such devices mainly depend on the stacking of multiple 2D heterojunctions to realize this function, which demands precise operational procedures and strict band alignment. Herein, we present the achievement of self-powered polarization photodetection in 2D GaInS 3 via strain engineering. This primarily depends on the intrinsic in-plane anisotropic structure and internal spontaneous polarization of 2D GaInS 3 . Remarkedly, the strained GaInS 3 devices exhibit superior optoelectronic performance with a high on/off ratio (>10 4 ), and large anisotropy ratio (∼5.4). Furthermore, the strained device can achieve self-powered high-resolution polarization imaging. This work offers a guideline valuable for developing high-performance 2D self-powered polarization photodetectors.

关键词： Two-dimensional materials Self-powered photodetector Polarization Strain engineering In-plane anisotropy

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Author Correction: Layer-by-layer phase transformation in Ti3O5 revealed by machine-learning molecular dynamics simulations

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Nature communications 2025年第1期16卷 969页

作者： Mingfeng Liu Jiantao Wang Junwei Hu Peitao Liu Haiyang Niu Xuexi Yan Jiangxu Li Haile Yan Bo Yang Yan Sun Chunlin Chen Georg Kresse Liang Zuo Xing-Qiu Chen Shenyang National Laboratory for Materials Science Institute of Metal Research Chinese Academy of Sciences Shenyang 110016 China. School of Materials Science and Engineering University of Science and Technology of China Shenyang 110016 China. State Key Laboratory of Solidification Processing International Center for Materials Discovery School of Materials Science and Engineering Northwestern Polytechnical University Xi'an 710072 China. Shenyang National Laboratory for Materials Science Institute of Metal Research Chinese Academy of Sciences Shenyang 110016 China. ptliu@***. State Key Laboratory of Solidification Processing International Center for Materials Discovery School of Materials Science and Engineering Northwestern Polytechnical University Xi'an 710072 China. haiyang.niu@***. Key Laboratory for Anisotropy and Texture of Materials (Ministry of Education) School of Materials Science and Engineering Northeastern University Shenyang 110819 China. University of Vienna Faculty of Physics and Center for Computational Materials Science Kolingasse 14-16 A-1090 Vienna Austria.

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Interfacial phosphorization strategy-driven bimetallic CoZn-MOFs for efficient photocatalytic hydrogen precipitation

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Journal of Colloid and Interface Science 2025年 698卷 138041页

作者： Jiayao Du Junke Li Lijun Zhang Zhiliang Jin School of Chemistry and Chemical Engineering Ningxia Key Laboratory of Solar Chemical Conversion Technology Key Laboratory for Chemical Engineering and Technology State Ethnic Affairs Commission North Minzu University Yinchuan 750021 PR China State Key Laboratory of Material Processing and Die & Mould Technology School of Materials Science and Engineering School of Environmental Science and Engineering Huazhong University of Science and Technology Luoyu Road 1037 430074 Wuhan PR China School of Chemistry & Chemical Engineering Anhui University of Technology 243002 Ma’anshan Anhui PR China

Transition metal phosphides (TMPs) have emerged as promising photocatalysts due to their exceptional catalytic performance derived from diverse crystalline phases and superior charge transport properties. To address the inherent limitations of metal–organic frameworks (MOFs) in terms of structural stability and reaction kinetics, this study employed an innovative phosphorization approach that successfully constructed essential Co-P and Zn-P chemical bonds within the framework. The engineered architecture not only increased the density of active catalytic sites but also created well-defined interfacial heterostructures in the CoZn-MOF matrix. advanced characterization techniques demonstrated that the induced internal electric field effectively promoted charge carrier migration and substantially improved the material’s water molecule activation efficiency. Systematic performance assessments revealed a 28-fold enhancement in hydrogen evolution rates for CoZn-P compared with Zn-P analogues, attributed to optimized charge separation efficiency and synergistic catalytic effects. These findings provide critical design guidelines for constructing high-performance MOF-derived photocatalysts through strategic structural engineering.

关键词： Active site Interface heterojunction MOFs P-doped Photocatalysis

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Grain boundary segregation mediated highly stable and high performance nanostructured MgAgSb bulk thermoelectric materials

Transactions of Materials Research

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Transactions of materials Research 2025年第1期1卷

作者： Lei Jiao Liangjun Xie Yu-Ke Zhu Lankun Wang Yuxin Sun Yuan Yu Alexandra Ivanova Vladimir Khovaylo Fengkai Guo Wei Cai Jiehe Sui Zihang Liu State Key Laboratory of Precision Welding & Joining of Materials and Structures Harbin Institute of Technology Harbin 150001 China National Key Laboratory for Precision Hot Processing of Metals Harbin Institute of Technology Harbin 150001 China Institute of Physics (IA) RWTH Aachen University Sommerfeldstraße 14 Aachen 52074 Germany National University of Science and Technology (NUST MISIS) Moscow 119049 Russia

We systematically elaborate the thermal stability mechanism of MgAgSb-based materials through thermodynamic and kinetic analysis of grain boundary characterizations. By proposing the general strategy of grain boundary segregation engineering (GBSE) to improve the stability of nanostructured bulk thermoelectric materials, it is found that excessive Cu doping can modify the microstructure to enhance stability as both Ag and Cu segregation coexist at the grain boundary. After annealing at elevated temperature, the final performance is almost unchanged with a high room-temperature dimensionless figure-of-merit zT of around 0.7, in contrast to property deterioration of pure MgAgSb. As revealed by atom probe tomography (APT) measurements, Cu segregation inhibits grain boundary migration and hinders grain growth, due to the additional reduced grain boundary energy and mobility. Our work provides new insights into the critical role of grain boundary segregation in the properties optimization and thermal stability enhancement, which opens up alternative perspectives for designs of highly stable and high-performance nanostructured thermoelectric materials.

关键词： Thermal stability Nanostructure Thermoelectric Grain boundary MgAgSb

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