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Interaction of Hydrogen with Ceria: Hydroxylation, Reduction, and Hydride Formation on the surface and in the Bulk

Chemistry - A European Journal 2021年第16期27卷 5268-5276页

作者： Li, Zhaorui Werner, Kristin Chen, Lu Jia, Aiping Qian, Kun Zhong, Jian-Qiang You, Rui Wu, Lihui Zhang, Liyuan Pan, Haibin Wu, Xin-Ping Gong, Xue-Qing Shaikhutdinov, Shamil Huang, Weixin Freund, Hans-Joachim Hefei National Laboratory for Physical Sciences at Microscale Key Laboratory of Surface and Interface Chemistry and Energy Catalysis of Anhui Higher Education Institutes CAS Key Laboratory of Materials for Energy Conversion and Department of Chemical Physics University of Science and Technology of China Hefei 230026 China Fritz-Haber-Institut der Max-Planck Gesellschaft Faradayweg 4–6 Berlin 14195 Germany Key Laboratory for Advanced Materials and Joint International Research Laboratory for Precision Chemistry and Molecular Engineering Feringa Nobel Prize Scientist Joint Research Center Centre for Computational Chemistry and Research Institute of Industrial Catalysis School of Chemistry and Molecular Engineering East China University of Science and Technology 130 Meilong Road Shanghai 200237 China Key Laboratory of the Ministry of Education for Advanced Catalysis Materials Institute of Physical Chemistry Zhejiang Normal University Jinhua 321004 China National Synchrotron Radiation Laboratory University of Science and Technology of China Hefei 230029 China Dalian National Laboratory for Clean Energy Dalian 116023 China

The study reports the first attempt to address the interplay between surface and bulk in hydride formation in ceria (CeO2) by combining experiment, using surface sensitive and bulk sensitive spectroscopic techniques o... 详细信息

The study reports the first attempt to address the interplay between surface and bulk in hydride formation in ceria (CeO₂) by combining experiment, using surface sensitive and bulk sensitive spectroscopic techniques on the two sample systems, i.e., CeO₂(111) thin films and CeO₂ powders, and theoretical calculations of CeO₂(111) surfaces with oxygen vacancies (O_v) at the surface and in the bulk. We show that, on a stoichiometric CeO₂(111) surface, H₂ dissociates and forms surface hydroxyls (OH). On the pre-reduced CeO_2−x samples, both films and powders, hydroxyls and hydrides (Ce−H) are formed on the surface as well as in the bulk, accompanied by the Ce³⁺ ↔ Ce⁴⁺ redox reaction. As the O_v concentration increases, hydroxyl is destabilized and hydride becomes more stable. surface hydroxyl is more stable than bulk hydroxyl, whereas bulk hydride is more stable than surface hydride. The surface hydride formation is the kinetically favorable process at relatively low temperatures, and the resulting surface hydride may diffuse into the bulk region and be stabilized therein. At higher temperatures, surface hydroxyls can react to produce water and create additional oxygen vacancies, increasing its concentration, which controls the H₂/CeO₂ interaction. The results demonstrate a large diversity of reaction pathways, which have to be taken into account for better understanding of reactivity of ceria-based catalysts in a hydrogen-rich atmosphere. © 2020 The Authors. Chemistry - A European Journal published by Wiley-VCH GmbH

关键词： ceria density functional calculations hydride hydrogenation surface structure

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Ruthenium nanoclusters anchored on cobalt phosphide hollow microspheres by green phosphating process for full water splitting in acidic electrolyte

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Chinese Chemical Letters 2021年第1期32卷 511-515页

作者： Yunqie Deng Linjing Yang Yakun Wang Lili Zeng Jiayuan Yu Bo Chen Xiaoli Zhang Weijia Zhou Guangzhou Key Laboratory for Surface Chemistry of Energy Materials New Energy Research InstituteSchool of Environment and EnergySouth China University of TechnologyGuangzhou Higher Education Mega CenterGuangzhou 510006China Shandong Collaborative Innovation Center of Technology and Equipements for Biological Diagnosis and Therapy Institute for Advanced Interdisciplinary Research(iAIR)University of JinanJi’nan 250022China Center for Programmable Materials School of Materials Science and EngineeringNanyang Technological UniversitySingapore 639798Singapore School of Materials Science and Engineering Zhengzhou UniversityZhengzhou 450001China

Transition metal phosphide(TMP) based electrocatalysts possessing special crystal and electronic structures attract broad attention in the field of *** effort is made to optimize TMP catalysts aiming to satisfy the electrochemical catalysis *** this work,an environmentally friendly in situ green phosphating strategy and spatial limiting effect of the RuCo precursor is employed to fabricate the ruthenium nanoclusters anchored on cobalt phosphide hollow microspheres(Ru NCs/Co_(2)P HMs).The obtained Ru NCs/Co_(2)P HMs electrocatalysts exhibit high hydrogen evolution reaction(HER) activity at wide pH ranges,which require an overpotential of 77 mV to achieve the current density of 10 mA/cm^(2) in 0.5 mol/L H_(2)SO_(4) and 118 mV in 1.0 mol/L ***,the multifunctional Ru NCs/Co_(2)P HMs exhibit good oxygen evolution reaction(OER) activity with an overpotential of 197 mV to reach the current density of 10 mA/cm^(2) in 0.5 mol/L H_(2)SO_(4),which is below that of the commercial RuO_(2) electrocatalyst(248 mV).A two-electrode electrolyzer is assembled as well,in acid electrolyte,it achieves a current density of 10 mA/cm^(2) at a voltage of 1.53 V,which is superior to that of the benchmark of precious metal-based electrolyzer(1.58 V).

关键词： Green phosphating Cobalt phosphide Ruthenium nanocluster Hydrogen evolution reaction Water splitting

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Effect of Nb Addition on the Steam Oxidation Behavior and Kinetic of Fecral Alloys

SSRN

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SSRN 2023年

作者： Huang, Xuefei Tuo, Jingyi Chen, Guang Wang, Hui An, Xuguang Wang, Fu Zhang, Qiang College of Materials Science and Engineering Sichuan University Chengdu610065 China Science and Technology on Reactor Fuel and Materials Laboratory Nuclear Power Institute of China Chengdu610041 China Interdisciplinary Materials Research Center Institute for Advanced Study Chengdu University China Science and Technology on Surface Physics and Chemistry Laboratory Mianyang621908 China State Key Laboratory of Environment-friendly Energy Materials School of Materials Science and Engineering Southwest University of Science and Technology Mianyang621010 China China Nuclear Power Operation Technology Corporation. LTD Hubei Wuhan430223 China

The effects of Nb on the steam oxidation kinetic behavior of FeCrAl alloy during two different heating stages, i.e., the initial heating and the subsequent holding stage, were studied. Nb addition significantly decreased the weight gain at the holding stage. Nb addition also promoted the formation of Al2O3 and suppressed the growth of Fe and Cr oxides, resulting in the thinner oxide film in the heating stage. Also, the oxide film is much easier to wrinkle in the subsequent holding stage. In addition, the formation of Nb2O5 promotes the formation of discontinuous granular Al2O3 in oxide films and substrates. © 2023, The Authors. All rights reserved.

关键词： Oxide films

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High tolerance detour-phase graphene-oxide flat lens

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Photonics Research 2021年第12期9卷 2454-2463页

作者： SHIBIAO WEI GUIYUAN CAO HAN LIN HAORAN MU WENBO LIU XIAOCONG YUAN MICHAEL SOMEKH BAOHUA JIA Nanophotonics Research Center Shenzhen Key Laboratory of Micro-Scale Optical Information TechnologyShenzhen UniversityShenzhen 518060China Centre for Translational Atomaterials Faculty of EngineeringScience and TechnologySwinburne University of TechnologyHawthornVIC 3122Australia The Australian Research Council(ARC)Industrial Transformation Training Centre in Surface Engineering for Advanced Materials(SEAM) Swinburne University of TechnologyHawthornVIC 3122Australia

Flat lenses thinner than a wavelength promise to replace conventional refractive lenses in miniaturized optical ***,Fresnel zone plate flat lens designs require dense annuli,which significantly challenges nanofabrication ***,we propose a new implementation of detour phase graphene flat lens with flexible annular number and *** graphene metalenses demonstrated that with a flexible selection of the line density and width,the metalenses can achieve the same focal length without significant *** will significantly weaken the requirement of the nanofabrication system which is important for the development of large-scale flat lenses in industry applications.

关键词： phase replace annular

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Nonlinear phonon Hall effects in ferroelectrics: Existence and nonvolatile electrical control

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Physical Review B 2023年第24期107卷 L241107-L241107页

作者： Wei Luo Junyi Ji Peng Chen Yang Xu Lifa Zhang Hongjun Xiang Laurent Bellaiche Physics Department and Institute for Nanoscience and Engineering University of Arkansas Fayetteville Arkansas 72701 USA Key Laboratory of Computational Physical Sciences (Ministry of Education) State Key Laboratory of Surface Physics and Department of Physics Fudan University Shanghai 200433 China Key Laboratory of Polar Materials and Devices (MOE) School of Physics and Electronic Science East China Normal University Shanghai 200241 China Phonon Engineering Research Center of Jiangsu Province Center for Quantum Transport and Thermal Energy Science Institute of Physics Frontiers and Interdisciplinary Sciences School of Physics and Technology Nanjing Normal University Nanjing 210023 China Collaborative Innovation Center of Advanced Microstructures Nanjing 210093 China Shanghai Qi Zhi Institute Shanghai 200030 China

Nonlinear Hall effects have been previously investigated in noncentrosymmetric systems for electronic systems. However, they only exist in metallic systems and are not compatible with ferroelectrics since these latter are insulators, hence limiting their applications. On the other hand, ferroelectrics naturally break inversion symmetry and can induce a nonzero Berry curvature. Here, we show that a nonvolatile electric-field control of heat current can be realized in ferroelectrics through the nonlinear phonon Hall effects. More precisely, based on the Boltzmann equation under the relaxation-time approximation, we derive the equation for nonlinear phonon Hall effects, and further show that the behaviors of nonlinear Hall effects for phonons (that are bosons) are very different from nonlinear Hall effects for electrons (that are fermions). Our work therefore provides a route for electric-field control of thermal Hall current in ferroelectrics.

关键词： Ferroelectricity First-principles calculations Hall effect Heat transfer Phonons Quantum transport Thermal conductivity

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Effect of Nb Addition on the Steam Oxidation Behavior and Kinetic of Fecral Alloys

SSRN

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SSRN 2023年

作者： Huang, Xuefei Tuo, Jingyi Chen, Guang Wang, Hui An, Xuguang Wang, Fu Zhang, Qiang Interdisciplinary Materials Research Center College of Materials Science and Engineering Sichuan University Chengdu610065 China Interdisciplinary Materials Research Center Institute for Advanced Study Chengdu University China Science and Technology on Surface Physics and Chemistry Laboratory Mianyang621908 China State Key Laboratory of Environment-friendly Energy Materials School of Materials Science and Engineering Southwest University of Science and Technology Mianyang621010 China China Nuclear Power Operation Technology Corporation. LTD Hubei Wuhan430223 China

关键词： Oxide films

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An in-situ defect passivation through a green anti-solvent approach for high-efficiency and stable perovskite solar cells

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Science Bulletin 2021年第14期66卷 1419-1428,M0004页

作者： Chang Liu Lei Huang Xianyong Zhou Xingzhu Wang Jianxi Yao Zhike Liu Shengzhong Frank Liu Wanli Ma Baomin Xu Academy for Advanced Interdisciplinary Studies Southern University of Science and TechnologyShenzhen 518055China Department of Materials Science and Engineering and Shenzhen Engineering Research and Development Center for Flexible Solar Cells Southern University of Science and TechnologyShenzhen 518055China Key Laboratory of Energy Conversion and Storage Technologies(Southern University of Science and Technology) Ministry of EducationShenzhen 518055China Guangdong-Hong Kong-Macao Joint Laboratory for Photonic-Thermal-Electrical Energy Materials and Devices Southern University of Science and TechnologyShenzhen 518055China State Key Laboratory of Alternate Electrical Power System with Renewable Energy Sources North China Electric Power UniversityBeijing 102206China Key Laboratory of Applied Surface and Colloid Chemistry(Ministry of Education) Shaanxi Key Laboratory for Advanced Energy DevicesShaanxi Engineering Laborartory for Advanced Energy TechnologySchool of Materials Science and EngineeringShaanxi Normal UniversityXi’an 710119China Institute of Functional Nano&Soft Materials Jiangsu Key Laboratory for Carbon-Based Functional Materials&DevicesJoint International Research Laboratory of Carbon-Based Functional Materials and DevicesSoochow UniversitySuzhou 215123China

surface and grain boundary defects in halide perovskite solar cells are highly detrimental,reducing efficiencies and *** halide anion and organic cation defects usually aggravate ion diffusion and material degradation on the surfaces and at the grain boundaries of perovskite *** this study,we employ an in-situ green method utilizing nontoxic cetyltrimethylammonium chloride(CTAC)and isopropanol(IPA)as anti-solvents to effectively passivate both surface and grain boundary defects in hybrid *** vacancies can be readily passivated by the chloride group due to its high electronegativity,and cation defects can be synchronously passivated by the more stable cetyltrimethylammonium *** results show that the charge trap density was significantly reduced,while the carrier recombination lifetime was markedly *** a result,the power conversion efficiency of the cell can reach 23.4%with this in-situ green *** addition,the device retains 85%of its original power conversion efficiency after 600 h of operation under illumination,showing that the stability of perovskite solar cells is improved with this in-situ passivation *** work may provide a green and effective route to improve both the stability and efficiency of perovskite solar cells.

关键词： Perovskite solar cells In-situ defect passivation Green anti-solvent

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Chemical composition analysis on industrial scale ingots and castings of TiAl alloys

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China Foundry 2020年第6期17卷 441-446页

作者： Xian-fei Ding Yi-qun Zhao Jia-bin Zuo Xin Feng Hai Nan Yong-feng Liang Yan-qing Su Cast Titanium Alloy R&D Center Beijing Institute of Aeronautical MaterialsBeijing 100095China Beijing Engineering Research Center of Advanced Titanium Alloy Precision Forming Technology Beijing 100095China BAIMTEC Material Co. Ltd.Beijing 100094China State Key Laboratory for Advanced Metals and Materials University of Science and Technology BeijingBeijing 100083China National Key Laboratory for Precision Hot Processing of Metals Harbin Institute of Technology HarbinHarbin150001China

The chemical composition variation of the TiAl-4722 alloys was examined in a batch of the industrial scale master ingots,and in the corresponding castings prepared by conventional vacuum arc remelting(VAR)combined with induction skull melting(ISM)and investment casting *** content changes of major elements and interstitial elements were evaluated based on the chemical analysis at the top and bottom of the ingots and *** show that the contents of C,N,H,Fe and Si have almost no change in the ingots and castings,suggesting that the chemical analysis on these elements can be based on the batch *** O content keeps almost the same in different ingots,but exhibits relatively large differences in castings,which was probably influenced by the reaction between the shell mold and the molten alloy,and the spalling of face coat of the shell mold during *** the major elements of Al,Nb and Cr,the composition difference between the top and the bottom of the ingots is less than that of the *** for the O element,the trend is different,especially for the castings,suggesting that the investment casting is a homogenization process for Cr and Nb,but a differentiation process for *** contents of major elements in castings fluctuate mainly in the same range as that in the ingots,indicating that the contents of the major elements are controllable during investment casting.

关键词： TiAl alloys melting casting chemical composition casting ingot

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Ultra-fast laser modification of LaYbZrCeO7 thermal barrier coating surface and its hydrophobic behavior

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surface and Coatings technology 2025年 512卷

作者： Chen, Ziyu Xiao, Yixin Li, Yuancheng Zheng, Haizhong Li, Guifa Geng, Yongxiang Zhou, Peifeng Wang, Xin Jiangxi Provincial Key Laboratory of Lightweight Composite Materials Nanchang Hangkong University Jiangxi 330063 China National Key Laboratory of Science and Technology on Power Beam Processes AVIC Aeronautical Manufacturing Technology Research Institute Beijing100024 China Surface Engineering Institution AECC Beijing Institute of Aeronautical Materials Beijing100095 China

Hydrophobic surfaces are pivotal for self-cleaning, anti-icing, and corrosion resistance. Developing hydrophobic LaYbZrCeO7 thermal barrier coating (TBC) offers an effective strategy to mitigate adhesion and corrosion induced by molten CMAS. In this paper, a periodic tip array with an average diameter of 100 μm and height of 45 μm was fabricated on LaYbZrCeO7 TBC using femtosecond laser processing. Compared to the original coating, the periodic tip array increased non-polar C[sbnd]C bonds by 14.35 % and decreased polar C-O-C, O-C=O, and -OH bonds by 7.26 %, 7.09 %, and 19.66 %, respectively, thereby reducing the surface polarity. Additionally, droplets form a "solid-gas-liquid" three-phase contact with the periodic tip array, reducing solid-liquid interaction and enhancing hydrophobicity. The average contact angles on the LaYbZrCeO7 tip array and original coating were 145.2° and 58.4°, respectively, demonstrating the array's hydrophobicity. In addition, the contact angle between the periodic tip array and molten CMAS is 59.6°, which is significantly higher than the original coating's 19.6°.These results offer novel insights into enhancing the resistance of LaYbZrCeO7 TBC against adhesion and corrosion from molten CMAS. © 2025 Elsevier B.V.

关键词： Femtosecond lasers

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Enhanced Electrochemical Performance of Silicon Anode Materials with Titanium Hydride Treatment

SSRN

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SSRN 2022年

作者： Huang, Yating Li, Qi Ma, Yangzhou Wang, Shuai Cai, Zhenfei Song, Guangsheng Yang, Weidong Ataee, Arash Wen, Cuie Key Laboratory of Green Fabrication and Surface Technology of Advanced Metal Materials Ministry of Education School of Materials Science and Engineering Anhui University of Technology Maanshan243000 China Electronic Materials Research Laboratory Key Laboratory of the Ministry of Education Xi'an Jiaotong University Shaanxi Xi’an710049 China Future Manufacturing Flagship CSIRO MelbourneVIC3168 Australia School of Engineering RMIT University BundooraVIC3083 Australia

As a promising anode material for the next generation of lithium-ion batteries, silicon (Si) suffers from the main problems of severe volume expansion and poor electrical conductivity. Compounding Si-based materials with metal hydrides is one of the ways to overcome these problems. Herein, we proposed TiH2 decorated Si composites prepared by ball milling and subsequent high-temperature calcination to restrain the volume expansion of Si and enhance the electrical conductivity. The resulting Si-0.05TiH2 anode delivered a reversible discharge capacity of 766.1 mAh/g after 100 cycles at a current density of 100 mA/g and better rate capability than the Si anode. Additionally, the electrochemical impedance spectroscopy (EIS) measurements and the density functional theory (DFT) calculation demonstrated that the insertion of Ti after dehydrogenation of TiH2 enhanced the conductivity of the composite anode. The charge transfer resistance (Rct) of Si-0.05TiH2 and Si anodes were 43.03Ω and 609.6Ω, respectively, indicated that the charge transfer process of Si/TiH2 electrodes was faster. This study provides a new strategy for compounding metal hydrides with Si, and a further attempt to enhance the electrochemical properties of Si. © 2022, The Authors. All rights reserved.

关键词： Lithium-ion batteries

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