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Nano Research 2024年第7期17卷 6567-6574页

作者： Fuxue Ma Yingjie Wu Shuge Dai Pei Lin Junlu Sun Lin Dong key laboratory of material physics of ministry of education and School of Physics and MicroelectronicsZhengzhou UniversityZhengzhou 450000China

The effective acquisition of hydrogen energy from the ocean offers a promising sustainable solution for increasing global energy ***,a self-powered high-efficient hydrogen generation system is proposed by integrating a triboelectric–electromagnetic hybrid nanogenerator(TEHG),power management circuit(PMC),and an electrolytic *** the wind triggering,as-fabricated TEHG can effectively convert breeze energy into electric energy,which demonstrates a high output current of 20.3 mA at a speed rotation of 700 rpm and the maximal output power of 13.8 mW at a load of 10 MΩ.Remarkably,asdesigned self-powered system can perform a steady and continuous water splitting to produce hydrogen(1.5μL·min^(−1))by adding a matching capacitor between the PMC and electrolytic *** the circuit,the capacitor can not only function as a charge compensation source for water splitting,but also stabilize the working *** other self-powered water splitting systems,the proposed system does not need catalysts or the complex electrical energy storage/release process,thus improving the hydrogen production efficiency and reducing the *** work provides an effective strategy for clean hydrogen energy production and demonstrates the huge potential of the constructed self-powered system toward carbon neutralization.

关键词： wind energy harvester hybrid nanogenerator energy conversion and management hydrogen energy production

Recent advances in protein conformation sampling by combining machine learning with molecular simulation

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Chinese physics B 2024年第3期33卷 80-87页

作者：唐一鸣杨中元姚逸飞周运谈圆王子超潘瞳熊瑞孙俊力韦广红 Department of physics State Key Laboratory of Surface Physicsand Key Laboratory for Computational Physical Sciences (Ministry of Education)Shanghai 200438China

The rapid advancement and broad application of machine learning(ML)have driven a groundbreaking revolution in computational *** of the most cutting-edge and important applications of ML is its integration with molecular simulations to improve the sampling efficiency of the vast conformational space of large *** review focuses on recent studies that utilize ML-based techniques in the exploration of protein conformational *** first highlight the recent development of ML-aided enhanced sampling methods,including heuristic algorithms and neural networks that are designed to refine the selection of reaction coordinates for the construction of bias potential,or facilitate the exploration of the unsampled region of the energy ***,we review the development of autoencoder based methods that combine molecular simulations and deep learning to expand the search for protein ***,we discuss the cutting-edge methodologies for the one-shot generation of protein conformations with precise Boltzmann ***,this review demonstrates the promising potential of machine learning in revolutionizing our insight into the complex conformational ensembles of proteins.

关键词： machine learning molecular simulation protein conformational space enhanced sampling

Synthesis and nitrogen content regulation of diamond in a high-pressure hydrogen-rich environment

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Chinese physics B 2024年第6期33卷 541-546页

作者：黄国锋陈良超房超 Inner Mongolia key laboratory of High-pressure Phase Functional materials Chifeng UniversityChifeng 024000China key laboratory of material physics of ministry of education School of Physics and MicroelectronicsZhengzhou UniversityZhengzhou 450052China

The regulating nitrogen content of diamond in a hydrogen-rich high-temperature and high-pressure(HPHT) growth environment was systematically investigated in this work by developing three growth systems,namely, "FeNi+Ti", "FeNi+G_(3)N_(6)H_(6)",and "FeNi+Ti+C_(3)N_(6)H_(6)".Optical microscopy,infrared spectroscopy,and photoluminescence(PL)spectroscopy measurements were conducted to analyze the spectroscopic characteristics of diamonds grown in these three *** our analysis,it was demonstrated that the presence of hydrogen in the sp^(3) hybrid C-H does not directly affect the color of the diamond and facilitates the increase of the nitrogen-vacancy(NV) center concentration in a highnitrogen-content *** addition,titanium plays an important role in nitrogen removal,while its impact on hydrogen doping within the diamond lattice is *** importantly,by regulating the ratio of nitrogen impurities that coexist in the nitrogen and hydrogen HPHT environment,the production of hydrogenous Ⅱa-type diamond,hydrogenous Ib-type diamond,and hydrogenous high-nitrogen-type diamonds was achieved with a nitrogen content of less than 1 ppm to 1600 ppm.

关键词： diamond HPHT superhard material hydrogen-rich environment

Rare earth inorganic-organic hybrid compounds based on Keggin-type polyoxometalate {SiW_(12)} with fast-responsive photochromism and switchable luminescence properties

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Journal of Rare Earths 2024年第2期42卷 286-292,I0003页

作者： Hong Cui Yanli Yang Xue Bai Xu Han Wensha Zhang Ying Lu Shuxia Liu key laboratory of Polyoxometalate and Reticular material Chemistry of the ministry of education College of ChemistryNortheast Normal UniversityChangchun 130024China

Four rare earth inorganic-organic hybrid compounds based on Keggin-type polyoxometalate {SiW_(12)}with general formula [{RE(DMF)_(4)(H_(2)O)_4RE(DMF)_(6)}_(2){SiW_(12)O_(40)}_(3)](RE = La(1),Pr(2),Sm(3),Eu(4),DMF=N,N-dimethylformamide) were synthesized by the conventional solution *** analyses indicate that four compounds are isostructural and are all built from three [SiW_(12)O_(40)]^(4-) polyoxoanions and DMF ligands linked by RE^(3+).Compounds 1-4 are extremely sensitive to UV light and present excellent photochromic properties,in which the coloring and fading time of samples are both no more than 2 min,and the reversible coloring-fading process can be repeated for at least 10 cycles with little fatigue,suggesting that compounds 1-4 can be a series of fast-responsive and durable photochromic ***,the solid-state photoluminescence spectra of compounds 3(Sm) and 4(Eu)display strong characteristic emissions of rare earth ions based on f-f ***,compound4(Eu) has a longer fluorescence lifetime up to 566.74 μ***,co mpounds 3(Sm) and 4(Eu) exhibit the switchable luminescence behavior induced by photochromism,which allows them to be used as potential molecular switches.

关键词： Inorganic-organic hybrid Keggin-type polyoxometalates Rare earths Photochromism Photoluminescence

Manipulating fast Li_(2)S redox via carbon confinement and oxygen defect engineering of In_(2)O_(3)for lithium-sulfur batteries

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Nano Research 2024年第6期17卷 5179-5187页

作者： Jinlei Qin Rui Wang Zilong Yuan Pei Xiao Deli Wang key laboratory of material Chemistry for Energy Conversion and Storage Ministry of EducationHubei Key Laboratory of Material Chemistry and Service FailureSchool of Chemistry and Chemical EngineeringHuazhong University of Science and TechnologyWuhan 430074China

Lithium-sulfur(Li-S)batteries have been considered as promising energy storage systems due to the merits of high energy density and low ***,the lithium polysulfides(LiPSs)diffusion and sluggish redox kinetics hamper t... 详细信息

关键词： Li-S batteries nitrogen-doped carbon confinement oxygen vacancies bidirectional Li_(2)S redox

Full-Stokes metasurface polarimetry requiring only a single measurement

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Photonics Research 2024年第3期12卷 514-521页

作者： CHENGLONG ZHENG HUI LI JINGYU LIU MENGGUANG WANG HUAPING ZANG YAN ZHANG JIANQUAN YAO key laboratory of material physics Ministry of EducationSchool of Physics and MicroelectronicsZhengzhou UniversityZhengzhou 450052China key laboratory of Opto-Electronics Information Technology(Tianjin University) Ministry of EducationSchool of Precision Instruments and Opto-Electronics EngineeringTianjin UniversityTianjin 300072China Beijing key laboratory for Metamaterials and Devices Key Laboratory of Terahertz OptoelectronicsMinistry of Educationand Beijing Advanced Innovation Center for Imaging TechnologyDepartment of PhysicsCapital Normal UniversityBeijing 100048China State key laboratory of Modern Optical Instrumentation College of Optical Science and EngineeringZhejiang UniversityHangzhou 310027China

Polarization is crucial in various fields such as imaging,sensing,and substance detection.A compact,fast,and accurate polarization detection device is vital for these ***,we demonstrate a multifocus metalens for terahertz polarization detection that requires only a single measurement to obtain complete polarization parameters and reconstruct the polarization state of the incident *** individual subarrays of this metalens convert each of the six polarized components into the same polarization,which in turn links the Stokes parameters to these six *** incident linear polarizations and elliptical polarizations are characterized by Stokes parameters and polarization *** and experimental results show that the scheme can accurately detect the incident polarization with a single *** proposed metasurface polarimetry may find applications in the fields of real-time terahertz detection and integrated optics.

关键词： field incident polar

Recent progress of cobalt-based electrocatalysts for water splitting: Electron modulation, surface reconstitution, and applications

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Nano Research 2024年第4期17卷 2234-2269页

作者： Zhijian Liang Di Shen Lei Wang Honggang Fu key laboratory of Functional Inorganic material Chemistry Ministry of Education of the People’s Republic of ChinaHeilongjiang UniversityHarbin 150080China

Electrocatalytic water splitting is an essential and effective means to produce green hydrogen energy structures,so it is necessary to develop non-precious metal catalysts to replace precious ***-based catalysts present effective alternatives due to the diverse valence states,adjustable electronic structures,and plentiful *** this review,the catalytic mechanisms of hydrogen evolution reaction(HER)and oxygen evolution reaction(OER)for electrocatalytic water splitting are ***,the synthesis strategies of various cobalt-based catalysts are systematically summarized,followed by the relationships between the structure and performance ***,the effects of d-band center and spin regulation for cobalt-based catalysts are also ***,the dynamic electronic and structural devolution of cobalt-based catalysts are elucidated by combining a series of in-situ ***,we highlight the challenges and future developed directions of cobalt-based catalysts for electrocatalytic water splitting.

关键词： cobalt-based electrocatalysts water splitting electron modulation surface reconfiguration

Progress and prospect of Pt-based catalysts for electrocatalytic hydrogen oxidation reactions

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Nano Research 2024年第3期17卷 960-981页

作者： Xu Zhang Ying Xie Lei Wang key laboratory of Functional Inorganic material Chemistry Ministry of Education of the People’s Republic of ChinaHeilongjiang UniversityHarbin 150080China

To achieve the goals of the peak carbon dioxide emissions and carbon neutral,the development and utilization of sustainable clean energy are extremely *** fuel cells are an important system for converting hydrogen energy into electrical ***,the slow hydrogen oxidation reaction(HOR)kinetics under alkaline conditions has limited its ***,elucidating the catalytic mechanism of HOR in acidic and alkaline media is of great significance for the construction of highly active and stable *** terms of practicality,Pt is still the primary choice for commercialization of fuel *** the above basis,we first introduced the hydrogen binding energy theory and bifunctional theory used to describe the HOR activity,as well as the pH *** that,the rational design strategies of Pt-based HOR catalysts were systematically classified and summarized from the perspective of activity *** addition,we further emphasized the importance of theoretical simulations and in situ characterization in revealing the HOR mechanism,which is crucial for the rational design of ***,the practical application of Pt-based HOR catalysts in fuel cells was also *** closing,the current challenges and future development directions of HOR catalysts were *** review will provide a deep understanding for exploring the mechanism of highly efficient HOR catalysts and the development of fuel cells.

关键词： Pt-based catalysts hydrogen oxidation reaction(HOR) electrocatalytic mechanism hydrogen binding energy theory bifunctional theory

Porous S-doped carbon nitride foam with accelerated charge dynamics for synchronous photocatalytic hydrogen production and highly selective oxidation of amines

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Nano Research 2024年第8期17卷 6860-6869页

作者： Yu He Aiping Wu Nan Wang Ying Xie Chungui Tian Honggang Fu key laboratory of Functional Inorganic material Chemistry(ministry of education of the People’s Republic of China) Heilongjiang UniversityHarbin 150080China

Photocatalytic hydrogen evolution coupled with organic oxidation holds great promise for converting solar energy into high-valueadded chemicals,but it is hampered by sluggish charge dynamics and limited redox ***,a porous S-doped carbon nitride(S-C_(3)N_(4−y))foam assembled from ultrathin nanosheets with rich nitrogen vacancies was synthesized using a molecular selfassembly *** S dopants and N vacancies synergistically adjusted the band structure,facilitating light absorption and enhancing the oxidation ***,the ultrathin nanosheets and porous structure provided more exposed active sites and facilitated mass and charge ***,S-C_(3)N_(4−y) foam exhibited enhanced photocatalytic activities for synchronous hydrogen evolution(4960μmol/(h·g))and benzylamine oxidation to N-benzylidenebenzylamine(4885μmol/(h·g))with high selectivity of>99%,which were approximately 17.6 and 72.9 times higher than those of bulk CN,*** photocatalytic coupling pairing reaction promotes the water splitting by consuming H2O2,thereby improving the hydrogen evolution efficiency and achieving the production of high value-added *** study provides an effective route for regulating the morphology and band structure of carbon nitride for synthesizing highly valuable chemicals.

关键词： photocatalysis S-doped carbon nitride band structure regulation hydrogen evolution coupled with benzylamine oxidation reaction mechanism

Synergistic Ru/RuO_(2)heterojunctions stabilized by carbon coating as efficient and stable bifunctional electrocatalysts for acidic overall water splitting

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Nano Research 2024年第8期17卷 6931-6939页

作者： Man Wu Yuying Fan Yang Huang Dongxu Wang Ying Xie Aiping Wu Chungui Tian key laboratory of Functional Inorganic material Chemistry Ministry of Education of the People’s Republic of ChinaHeilongjiang UniversityHarbin 150080China

The development of highly active and stable acidic water oxidation electrocatalysts is of great significant for promoting the industrial application of proton exchange membrane ***-based catalysts have broad application prospects in acidic water oxidation,but their limitations in stability and activity hinder their further ***,a nitrogen-doped carbon(NC)coated porous Ru/RuO_(2)heterojunctional hollow sphere(Ru/RuO_(2)/NC)is designed as high-active and stable bifunctional electrocatalyst for acidic oxygen evolution reaction(OER)and hydrogen evolution reaction(HER).In synthesis,the key is to use mesoporous polydopamine spheres as a template for forming hollow spheres,a source of NC coating and a reducing agent for forming Ru/RuO_(2)*** Ru/RuO_(2)heterojunction adjusts the electronic structure of Ru active sites,optimizing the adsorption of intermediate ***,the NC coating and the interaction between NC and Ru/RuO_(2)effectively prevent Ru from over-oxidation and *** porous hollow structure provides more exposed active sites and promotes mass ***,Ru/RuO_(2)/NC exhibits outstanding OER and HER performance with low overpotentials of 211 and 32 mV at 10 mA·cm^(−2),respectively,and shows excellent *** acid water splitting electrolyzer,based on the bifunctional Ru/RuO_(2)/NC,requires low cell voltages of 1.46 and 1.76 V at 10 and 100 mA·cm^(−2),respectively,with good stability for over 100 h operation,surpassing Pt/C||RuO_(2)and most of the reported catalysts.

关键词： hollow heterojunction bifunctional electrocatalysts oxygen evolution hydrogen evolution acidic water splitting