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Steering surface reconstruction of hybrid metal oxides for efficient oxygen evolution reaction in water splitting and zinc-air batteries

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Journal of Energy Chemistry 2024年第5期92卷 383-393页

作者： Jie Zhu Junxue Chen Xida li Kun Luo Zewei xiong Zhiyu Zhou Wenyun Zhu Zhihong Luo Jingbin Huang Yibing li Key Lab of New Processing Technology for Nonferrous Metals and Materials Ministry of EducationSchool of Materials Science and EngineeringGuilin University of TechnologyGuilin 541000GuangxiChina The Key Laboratory of Rare Earth Functional Materials and Applications Zhoukou Normal UniversityZhoukou 466001HenanChina School of Chemistry and Chemical Engineering Beijing Institute of TechnologyBeijing 100081China School of Materials Science and Engineering Changzhou UniversityChangzhou 213164JiangsuChina Wuhan Sunmoon Battery Co. LtdWuhan 430090HubeiChina

Surface reconstruction yields real active species in electrochemical oxygen evolution reaction(OER)conditions;however,rationally regulating reconstruction in a targeted manner for constructing highly active OER electrocatalysts remains a formidable ***,an electrochemical activation strategy with selective etching was utilized to guide the reconstruction process of a hybrid cobalt-molybdenum oxide(CoMoO_(4)/Co_(3)O_(4)@CC)in a favorable direction to improve the OER *** in-situ Raman and multiple ex-situ characterization tools demonstrate that controlled surface reconstruction can be easily achieved through Mo etching,with the formation of a dynamically stable amorphous-crystalline *** calculations together with experimental results reveal that the synergistic effects between amorphous CoOOH and crystalline Co_(3)O_(4) are crucial in enhancing the catalytic ***,the reconstructed CoMoO_(4)/Co_(3)O_(4)@CC exhibits a low overpotential of 250 mV to achieve a current density of 10 mA cm^(-2) in 1 M KOH,and more importantly it can be practiced in electrolytic water splitting and rechargeable zinc-air batteries devices,achieving ultra-long stability for over 500 and 1200 h,*** work provides a promising route for the construction of high-performance electrocatalysts.

关键词： Electrocatalyst Oxygen evolution reaction Surface reconstruction Selective etching Amorphous-crystalline heterostructures

Efficient adsorption separation of methane from C_(2)-C_(3) hydrocarbons in a Co(Ⅱ)-nodes metal-organic framework

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Chinese Journal of Chemical Engineering 2024年第5期69卷 192-198页

作者： Jie Zhang Xingzhe Guo Bing lin Guangzu xiong Hanshuang Wang Min Zhang liwen Fan Bingwen li Shuisheng Chen department of Chemistry and Chemical Engineering Taiyuan Institute of TechnologyTaiyuan 030008China Engineering Research Center of Oligosaccharides Fuyang Normal UniversityFuyang 236041China Shandong Key Laboratory of Biophysics Institute of BiophysicsDezhou UniversityDezhou 253023China

Methane(CH_(4))as a substitute for other mineral fuels plays a crucial role in reducing energy consumption and preventing environmental *** present study employs a solvothermal method to fabricate a porous framework Co-metal-organic framework(Co-MOF)containing two distinct secondary building units(SBUs):an anionic[Co_(2)(μ_(2)-OH)(COO)_(4)(H_(2)O)]and a neutral[CoN_(2)(COO)_(2)].Notably,within the anionic SBUs,the coordinated water molecules induce the generation of divergent unsaturated Co(Ⅱ)centers in the unidirectional porous channels,thereby creating open metal *** adsorption performance of Co-MOF towards pure component gases was systematically *** results demonstrated that Co-MOF exhibits superior adsorption capacity for C_(2)-C_(3) hydrocarbons compared to CH_(4),which offers the potential for efficient adsorption and separation of CH_(4) from C_(2)-C_(3) *** gas selectivity separation ratios of Co-MOF for C_(2)H_(6)/CH_(4) and C_(3)H_8/CH_(4) were calculated using the ideal adsorbed solution theory method at 273/298 K and 0.1 *** results revealed that Co-MOF achieved remarkable equilibrium separation selectivity for CH_(4) and C_(2)-C_(3) hydrocarbon gases among non-modified MOFs,signifying the potential of the synthesized Co-MOF for efficient recovery and purification of CH_(4) from C_(2)-C_(3) *** experiments further demonstrate the ability of Co-MOF to purify methane from C_(2)-C_(3) hydrocarbons in practical gas separation ***,molecular simulation calculations further substantiate the propensity of anionic SBUs to interact with C_(2)-C_(3) hydrocarbon *** study provides a novel paradigm for the development of porous MOF materials in the application of gas mixture separation.

关键词： Co-MOF Separation hydrocarbons Dynamic breakthrough curves Molecular simulations adsorbent Monte Carlo simulation

Improvement of impact properties of Al-Si-Mg alloy via solution treatment and joint modification with Sr and La

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Rare Metals 2024年第7期43卷 3301-3313页

作者： xiong-ling Zheng Shao-Xiang li Jia-Le Ma Qing-Yan Xu Hai-Dong Zhao Zhi-Qiang Han Key Laboratory for Advanced Materials Processing Technology Ministry of EducationSchool of Materials Science and EngineeringTsinghua UniversityBeijing 100084China National Engineering Research Center of Near-Net Shape Forming for Metallic Materials South China University of TechnologyGuangzhou 510641China

An effort to obtain superior impact properties for Al-7Si-0.35 Mg alloy is presented,where modification with 0.02 wt% Sr and 0.1 wt% La as well as solution treatment was jointly *** samples were solution treated at 535℃ for 15 min to 12 *** microstructure,fracture mechanism,and their correlation with the impact properties of the alloy were studied in detail mainly through optical microscopy(OM),scanning electron microscopy(SEM) and oscillography impact *** results show that the addition of Sr and La refined the eutectic Si particles significantly from~ 2.05 μm(modified with Sr alone) to~ 0.75 μm in as-cast microstructure,leading to a very homogeneous distribution of spheroidized Si particles in the alloy solution treated at 535℃ for 8 *** alloy exhibits excellent impact toughness up to 75 J·cm^(-2),which is much higher than the maximum impact toughness of the alloys modified by Sr alone(~ 46 J·cm^(-2)).The major reason for this remarkable increase in the impact property is the dramatic increase in crack initiation *** dispersoid-free zones(DFZs)near the eutectic regions mainly consist of the ductile Al-matrix,which exhibits excellent *** ductile Al-matrix of the DFZs hinders the crack propagation,resulting in a significant increase in crack propagation energy.

关键词： Aluminum alloys Modification Solution treatment Microstructure Impact properties Fracture mechanism

Effect of TiB_(2)Addition on Microstructure and Mechanical Properties of AA8009 Alloy Fabricated by Laser Additive Manufacturing

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Acta Metallurgica Sinica(English Letters) 2024年第1期37卷 67-77页

作者： Xinxing xiong Sijie Yu Pei Wang Junfang Qi Haichao li Xulei Wang Michael Ryan debajyoti Bhaduri Rossitza Setchi Additive Manufacturing Institute Shenzhen UniversityShenzhen518060China Henan Key Laboratory of High Performance Carbon Fiber Reinforced Composites Institute of Carbon Matrix CompositesHenan Academy of SciencesZhengzhou450046China School of Materials Science and Engineering Shanghai University of Engineering ScienceShanghai201620China School of Materials Science and Engineering Zhengzhou University of AeronauticsZhengzhou450046China High-Value Manufacturing Research Group School of EngineeringCardiff UniversityCardiffCF243AAUK

The research involves the addition of 5 vol.%TiB_(2)particles into AA8009 alloy powder to synthesize TiB_(2)/AA8009 composite parts produced via laser powder bed fusion(LPBF).The addition of the TiB_(2)particles causes the TiB_(2)/AA8009 composites with and without annealing have lower compressive strength than AA8009 alloy due to the change of the strengthening *** results further indicated that solid solution strengthening was the main strengthening mechanism of the LPBF AA8009 alloy at room temperature whereas Orowan strengthening became the primary strengthening factor after annealing at 673 *** contrast,Orowan strengthening always remained the main strengthening mechanism for the TiB_(2)/AA8009 composite,irrespective of the annealing *** addition,after annealing of the LPBF parts at 673 K,the compressive yield strength(CYS)of the unblended AA8009 alloy specimens had a~2.5 times greater reduction(from 705±16 to 459±30 MPa)compared to that of the composite TiB_(2)/AA8009 samples(from 466±23 to 368±3 MPa).Therefore,TiB_(2)particles can suppress the drop in yield strength of LPBF AA8009 alloy below 673 K,providing a theoretical and experimental basis for the applications of both LPBF AA8009 and TiB_(2)/AA8009 alloys at low and medium temperatures.

关键词： Laser powder bed fusion AA8009 alloy Microstructure Mechanical properties

Thermally modulated photoelectronic synaptic behavior in HfS_(2)/VO_(2) heterostructure

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Rare Metals 2024年第8期43卷 3798-3809页

作者： Le Wang lin Wang Xiao-Yun Ye xiong-Hu Xu li-Yan Shang Ya-Wei li Jin-Zhong Zhang liang-Qing Zhu Zhi-Gao Hu Technical Center for Multifunctional Magneto-Optical Spectroscopy(Shanghai) Engineering Research Center of Nanophotonics&Advanced Instrument(Ministry of Education)Department of PhysicsSchool of Physics and Electronic ScienceEast China Normal UniversityShanghai 200241China Collaborative Innovation Center of Extreme Optics Shanxi UniversityTaiyuan 030006China

Neuromorphic computing is known for its efficient computational speed,low latency,and reduced power consumption,which is considered a pivotal technology to overcome the von Neumann *** synapses are an indispensable component of neuromorphic computational artificial neural *** guarantee effective and precise processing of optical signals,it must have a high responsivity,detectivity,and the ability to adapt to various ***,a synaptic transistor based on the HfS_(2)/VO_(2) heterojunction with a responsivity of8.6×10^(3) A·W^(-1)and a detectivity of 1.26×10^(14)Jones at405 nm laser was ***,the typical synaptic behavior was successfully simulated,including postsynaptic currents(PSCs),the transition from shortterm plasticity(STP)to long-term plasticity(LTP).When VO_(2) converts from the semiconductor state to the metal state,the HfS_(2)/VO_(2) heterojunction transforms into a Schottky heterojunction from a TypeⅡheterojunction with ***'s important,the heterojunction still exhibits excellent responsivity and detectivity,as well as stability of synaptic *** addition,the classical Pavlovian conditioning experiment is simulated under different laser intensity to study the brain's associative learning *** results demonstrate that the HfS_(2)/VO_(2) heterojunction synapse exhibits significant responsivity and detectivity and is adaptable to high-temperature environments,showing great potential for neuromorphic computational applic ations.

关键词： HfS_(2) VO_(2) Phase transition Photoelectric synapse Heterojunction

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Interaction mechanism between BaZrO_(3)/Y_(2)O_(3) refractory and Ti_(2)Ni alloy melts

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Journal of Iron and Steel Research International 2024年第6期31卷 1376-1388页

作者： Xiao Hou Guang-yao Chen Jian liu Ming-rui Lv Fei-hai Yu Qi-sheng Feng Rong-bin li xiong-gang Lu Chong-he li State Key Laboratory of Advanced Special Steel and Shanghai Key Laboratory of Advanced Ferromeallurgy and School of Materials Science and Engineering Shanghai UniversityShanghai 200072China Shanghai Special Casting Engineering Technology Research Center Shanghai 201605China Zhejiang Institute of Advanced Materials Shanghai UniversityJiashan 314100ZhejiangChina School of Materials Science and Engineering Shanghai DianJi UniversityShanghai 201306China

The titanium alloys with highly chemical activity require stable crucible refractories that can withstand the erosion of alloy *** phase composition and microstructure are crucial factors that affect the stability of the refractory *** effect of Y_(2)O_(3) on the composition and microstructure of BaZrO_(3) crucible was systematically investigated,and the improved mechanism of the stability of BaZrO_(3)/Y_(2)O_(3) crucible was clarified in comparison with the BaZrO_(3) *** results showed that the erosion layer thickness of the BaZrO_(3)/Y_(2)O_(3) crucible was only 63μm,which was far less than that in the BaZrO_(3) crucible(485μm),and the erosion layer in the BaZrO_(3)/Y_(2)O_(3) crucible also exhibited a higher density than that in the BaZrO_(3) *** the sintering,Y_(2)O_(3) could improve the densification of the BaZrO_(3) crucible due to the solid solution effect between Y_(2)O_(3) and ZrO_(2),which also caused the evaporation of BaO,resulting in the generation of a Y_(2)O_(3)(ZrO_(2))film on the surface of the ***,the Y_(2)O_(3)(ZrO_(2))had higher thermodynamic stability than Y_(2)O_(3),confirming that the BaZrO_(3)/Y_(2)O_(3) crucible with high density exhibited a superior erosion resistance to titanium *** dual-phase structure provides a strategy to design a long-life and stable refractory for melting titanium alloys.

关键词： Barium zirconate Yttrium oxide Dual-phase refractory Titanium alloy Interaction

Metal complexes of bipyridine-functionalized covalent organic frameworks as efficient electrocatalysts for oxygen evolution reaction

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Rare Metals 2024年第7期43卷 3096-3106页

作者： Zhuang-Zhuang Wu Tian Xia Ying liang Yong-Peng li Zhu-Yin Sui li-Juan Feng Dao-xiong Wu Xin-Long Tian Qi Chen State Key Laboratory of Marine Resource Utilization in South China Sea School of Marine Science and EngineeringHainan UniversityHaikou 570228China School of Chemistry and Chemical Engineering Yantai UniversityZhuhai519041China School of Bioengineering Zhuhai Campus of Zunyi Medical UniversityZhuhai519041China

Electrocatalytic water splitting is considered a clean and practic al method for producing *** this study,COF-Bpy,a bipyridine-functionalized covalent organic framework(COF),was prepared via post-synthetic modification,after which electrocatalysts for the oxygen evolution reactions(OER)were formed through coordination to single-or double-transition metals(Fe,Co,Ni,FeCo,FeNi or CoNi).COF-Bpy@FeNi delivered the best OER performance among the studied electrocatalysts,with an overpotential of 399 mV at 10 mA·cm^(-2)in an alkaline electrolyte(1.0 mol·L^(-1)KOH aqueous).Notably,the electrocatalytic performance of COF-Bpy@FeNi showed slight degradation during durability testing,which is ascribable to its irreversible benzoquinoline structure and strong metal *** expected,COF-Bpy@FeNi exhibited a low overpotential of 347 mV at a turnover frequency(TOF)of 0.1 s^(-1),which suggests that COF-Bpy@FeNi possesses excellent intrinsic electroc atalytic OER ***,density functional theory(DFT)calculations reveal that the Ni site plays a major role,while the Fe site adjusts the electronic structure of the Ni ions,which rationalizes the excellent OER properties of COF-Bpy@*** study not only provides a simple and efficient method for complexing COFs with transition metals,but also offers a novel strategy for designing porous organic polymer electrocatalysts.

关键词： Covalent organic framework Oxygen evolution reactions(OER)electrocatalyst Nickel-iron synergy Water splitting

Transfer learning enhanced graph neural network for aldehyde oxidase metabolism prediction and its experimental application

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Acta Pharmaceutica Sinica B 2024年第2期14卷 623-634页

作者： Jiacheng xiong Rongrong Cui Zhaojun li Wei Zhang Runze Zhang Zunyun Fu Xiaohong liu Zhenghao li Kaixian Chen Mingyue Zheng Drug Discovery and design Center State Key Laboratory of Drug ResearchShanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China University of Chinese Academy of Sciences Beijing 100049China College of Computer and Information Engineering Dezhou UniversityDezhou 253023China AI department Suzhou Alphama Biotechnology Co.Ltd.Suzhou 215000China Shanghai Institute for Advanced Immunochemical Studies and School of Life Science and TechnologyShanghaiTech UniversityShanghai 200031China State Key Laboratory of Pharmaceutical Biotechnology Nanjing UniversityNanjing 210023China

Aldehyde oxidase(AOX)is a molybdoenzyme that is primarily expressed in the liver and is involved in the metabolism of drugs and other ***-mediated metabolism can result in unexpected outcomes,such as the production of toxic metabolites and high metabolic clearance,which can lead to the clinical failure of novel therapeutic *** models can assist medicinal chemists in rapidly evaluating the AOX metabolic risk of compounds during the early phases of drug discovery and provide valuable clues for manipulating AOX-mediated metabolism *** this study,we developed a novel graph neural network called AOMP for predicting AOX-mediated *** integrated the tasks of metabolic substrate/non-substrate classification and metabolic site prediction,while utilizing transfer learning from 13C nuclear magnetic resonance data to enhance its performance on both *** significantly outperformed the benchmark methods in both cross-validation and external *** AOMP,we systematically assessed the AOX-mediated metabolism of common fragments in kinase inhibitors and successfully identified four new scaffolds with AOX metabolism liability,which were validated through in vitro ***,for the convenience of the community,we established the first online service for AOX metabolism prediction based on AOMP,which is freely available at https://***.

关键词： Drugmetabolism Aldehyde oxidase Transferlearning Graph neural network Kinase inhibitor

Molecular and therapeutic landscape of ferroptosis in skin diseases

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中华医学杂志(英文版) 2024年第15期137卷 1777-1789页

作者： Le Jiayuan Meng Yu Wang Ying li Daishi Zeng Furong xiong Yixiao Chen Xiang deng Guangtong department of dermatology Xiangya Hospital Central South University Changsha Hunan China National Engineering Research Center of Personalized Diagnostic and Therapeutic Technology Changsha Hunan China Furong Laboratory Changsha Hunan China Hunan Key Laboratory of Skin Cancer and Psoriasis Hunan Engineering Research Center of Skin Health and Disease Xiangya Hospital Central South University Changsha Hunan China National Clinical Research Center for Geriatric Disorders Xiangya Hospital Changsha Hunan China department of Oncology Xiangya Hospital Central South University Changsha Hunan China department of dermatology Tongji Hospital Huazhong University of Science and Technology Wuhan Hubei China

Regulated cell death (RCD) is a critical physiological process essential in maintaining skin homeostasis. Among the various forms of RCD, ferroptosis stands out due to its distinct features of iron accumulation, lipid peroxidation, and involvement of various inhibitory antioxidant systems. In recent years, an expanding body of research has solidly linked ferroptosis to the emergence of skin disorders. Therefore, understanding the mechanisms underlying ferroptosis in skin diseases is crucial for advancing therapy and prevention strategies. This review commences with a succinct elucidation of the mechanisms that underpin ferroptosis, embarks on a thorough exploration of ferroptosis’s role across a spectrum of skin conditions, encompassing melanoma, psoriasis, systemic lupus erythematosus (SLE), vitiligo, and dermatological ailments precipitated by ultraviolet (UV) exposure, and scrutinizes the potential therapeutic benefits of pharmacological interventions aimed at modulating ferroptosis for the amelioration of skin diseases.

关键词： Ferroptosis Skin diseases Regulated cell death Homeostasis Melanoma Psoriasis Systemic lupus erythematosus Vitiligo