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Towards full-stack deep learning-empowered data processing pipeline for synchrotron tomography experiments

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The Innovation 2024年第1期5卷 127-138页

作者： Zhen Zhang Chun Li Wenhui Wang Zheng Dong Gongfa Liu Yuhui Dong Yi Zhang National synchrotron radiat.on lab.ratory University of Science and Technology of ChinaHefei 230029China beijing synchrotron radiat.on Facility Institute of High Energy PhysicsChinese Academy of SciencesBeijing 100049China

synchrotron tomography experiments are transitioning into multifunctional,cross-scale,and dynamic characterizations,enabled by new-generation synchrotron light sources and fast developments in beamline ***,with the spatial and temporal resolving power entering a new era,this transition generates vast amounts of data,which imposes a significant burden on the data processing ***,as a highly accurate and efficient data processing method,deep learning shows great potential to address the big data challenge being encountered at future synchrotron *** this review,we discuss recent advances employing deep learning at different stages of the synchrotron tomography data processing *** also highlight how applications in other data-intensive fields,such as medical imaging and electron tomography,can be migrated to synchrotron ***,we provide our thoughts on possible challenges and opportunities as well as the outlook,envisioning selected deep learning methods,curated big models,and customized learning strategies,all through an intelligent scheduling solution.

关键词： processing pipeline outlook

Designing simple non-fused terthiophene-based electron acceptors for efficient organic solar cells

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Journal of Energy Chemistry 2024年第9期96卷 501-508页

作者： Jiayu Li Kun Li Zhe Mei Yu Chen Qian Xie Chenxu Yu Xuefeng Liu Yanqi Wang Yishi Wu Qing Liao Cunbin An Hongbing Fu beijing Key lab.ratory for Optical Materials and Photonic Devices Department of ChemistryCapital Normal UniversityBeijing 100048China beijing synchrotron radiat.on lab.ratory Institute of High Energy PhysicsChinese Academy of Sciences(CAS)Beijing 100049China

Low-cost photovoltaic materials are essential for realizing large-scale commercial applications of organic solar cells(OSCs).However,highly efficient OSCs based on low-cost photovoltaic materials are scarce due to a deficiency in understanding the structure-property ***,we investigated two low-cost terthiophene-based electron acceptors,namely,3TC8 and 3TEH,with 3,4-bis(octan-3-yloxy)thiophene,differing only in the alkylated *** acceptors exhibit low optical gaps(∼1.43 eV)and possess deep highest occupied molecular orbital(HOMO)levels(∼−5.8 eV).Notably,the single-crystal structure of 3TEH demonstrates highly planar conjugated backbone and strongπ-πstacking between intermolecular terminal groups,attributed to the presence of the bulky alkylated noncovalently conformational *** utilizing both acceptors to fabricate OSCs,the 3TC8-based device exhibited a power conversion efficiency(PCE)of 11.1%,while the 3TEH-based OSC demonstrated an excellent PCE of 14.4%.This PCE is the highest among OSCs based on terthiophene-containing electron *** results offer a new strategy for designing low-cost electron acceptors for highly efficient OSCs.

关键词： Organic solarcells Low cost Terthiophene Non-fused electron acceptor

Temperature-sensing array using the metal-to-insulator transition of Nd_(x)Sm_(1-x)NiO_(3)

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International Journal of Minerals,Metallurgy and Materials 2024年第7期31卷 1694-1700页

作者： Fengbo Yan Ziang Li Hao Zhang Yuchen Cui Kaiqi Nie Nuofu Chen Jikun Chen School of Materials Science and Engineering University of Science and Technology BeijingBeijing 100083China School of Renewable Energy North China Electric Power UniversityBeijing 102206China beijing synchrotron radiat.on Facility Institute of High Energy PhysicsChinese Academy of SciencesBeijing 100049China

Rare-earth nickelates(RENiO_(3))show widely tunable metal-to-insulator transition(MIT)properties with ignorable variations in lattice constants and small latent heat across the critical temperature(TMIT).Particularly,it is worth noting that compared with the more commonly investigated vanadium oxides,the MIT of RENiO_(3)is less abrupt but usually across a wider range of *** sheds light on their alternative applications as negative temperature coefficient resistance(NTCR)thermistors with high sensitivity compared with the current NTCR thermistors,other than their expected use as critical temperature resistance *** this work,we demonstrate the NTCR thermistor functionality for using the adjustable MIT of Nd_(x)Sm_(1-x)NiO_(3)within 200–400 K,which displays larger magnitudes of NTCR(e.g.,more than 7%/K)that is unattainable in traditional NTCR thermistor *** temperature dependence of resistance(R–T)shows sharp variation during the MIT of Nd_(x)Sm_(1-x)NiO_(3)with no hysteresis via decreasing the Nd content(e.g.,x≤0.8),and such a R–T tendency can be linearized by introducing an optimum parallel *** sensitive range of temperature can be further extended to 210–360 K by combining a series of Nd_(x)Sm_(1-x)NiO_(3)with eight rare-earth co-occupation ratios as an array,with a high magnitude of NTCR(e.g.,7%–14%/K)covering the entire range of temperatures.

关键词： rare-earth nickelates metal-to-insulator transition correlated oxides perovskites

Electrochemical Oxygen Evolution Performance of Nitrogen-Doped Ultra-Thin Carbon Nanosheets Composite Ru1Co Single Atom Alloy Catalysts

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Chinese Journal of Chemistry 2024年第9期42卷 973-979页

作者： Ziwei Deng Zhiyi Sun Yaqiong Li Jiajing Pei Wenxing Chen Energy&Catalysis Center Schoolof Materials Science and EngineeringBeijing Institute of TechnologyBeijing 100081China beijing synchrotron radiat.on Facility Institute of High Energy PhysicsChinese Academy of SciencesBeijing 00049China

Energy transformation is imminent,and hydrogen energy is one of the important new energy *** of the keys to increasing the rate of hydrogen evolution during electrolysis is the use of high-performance catalysts for oxygen evolution reactions(OER).Single-atom alloys(SAAs)have garnered significant attention because they partially reduce costs and combine the advantages of both single-atom catalysts(SACs)and alloy ***,an efficient pyrolysis strategy based on a mixing and drying process is designed to anchor ultra-small Co cluster particles,combined with Ru single atoms dispersed on nitrogen-doped ultra-thin carbon nanosheets(Ru_(1)Co SAA/NC).The prepared electrocatalyst exhibits superior OER activity and superb stability,demonstrating an overpotential of 238 mV for OER with a current density of 10 mA·cm^(-2) in 0.5 mol/L H_(2)SO_(4).And we also utilized in-situ XAS to detect the oxidation state of Ru sites during *** in all,this method achieves cost reductions and efficiency improvements through the design of SAAs,offering new prospects for the structural transformation of clean energy.

关键词： Oxygen evolution reaction Single alloy catalyst Ultra-thin carbon nanosheets Electrocatalyst Pyrolysis RuiCo SAA/NC

Designed imidazole-based supramolecular catalysts for accelerating oxidation/hydrolysis cascade reactions

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Nano Research 2024年第6期17卷 4916-4923页

作者： Yuanxi Liu Wenjie Xu Shichao Xu Haifeng Wu Baoli Zhang Li Song Zhen-Gang Wang State Key lab.ratory of Organic-Inorganic Composites Key Lab of Biomedical Materials of Natural Macromolecules(Ministry of Education)Beijing Laboratory of Biomedical MaterialsCollege of Materials Science and EngineeringBeijing University of Chemical TechnologyBeijing 100029China National synchrotron radiat.on lab.ratory CAS Center for Excellence in NanoscienceUniversity of Science and Technology of ChinaHefei 230029China

Reconstructing enzymatic active sites presents a significant challenge due to the intricacies involved in achieving enzyme-like scaffold folding and spatial arrangement of essential functional *** is also a growing interest in building biocatalytic networks,wherein multiple enzymatic active sites are localized within a single artificial system,allowing for cascaded *** this work,we report the self-assembly of imidazole or its derivatives with fluorenylmethyloxycarbonyl-modified histidine and Cu2+to fabricate a supramolecular catalyst,which possesses catechol oxidase-like dicopper center with multiple imidazole as the coordination *** electron microscopy,low-temperature X-band continuous-wave electron paramagnetic resonance,K-edge X-ray absorption spectra/the extended X-ray absorption fine structure analysis,and density functional theory modeling were used for the structural characterization of the *** phenol derivatives and the dissolved oxygen were used as the substrates,with the addition of 4-aminoantipyrine to generate a red adduct with a maximum absorbance at 510 nm,for obtaining time-dependent absorbance change curves and estimating the *** results reveal that the addition of imidazole synergistically accelerates the oxidative activity about 10-fold and the hydrolysis activity about 14-fold than fluorenylmethyloxycarbonyl modified-histidine/Cu2+.The supramolecular nanoassembly also exhibits the ability to catalyze oxidation/hydrolysis cascade reactions,converting 2′,7′-dichlorofluorescin diacetate into 2′,7′-*** process can be regulated through the methylation of the imidazole component at various *** work may contribute to the design of advanced biomimetic catalysts,and shed light on early structural models of the active sites of the primitive copper-dependent enzymes.

关键词： enzyme mimic self-assembly supramolecular catalyst cascade reactions

A general and facile calcination method to synthesize single-site catalysts for highly efficient electrochemical CO_(2) reduction

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Nano Research 2024年第5期17卷 3895-3901页

作者： Rui Sui Bingyan Wang Yongsheng Wang Jiajing Pei Wei Zhu Wenxing Chen Chunhui Li Ailing Sun Zhongbin Zhuang Engineering Research Center of Advanced Rare Earth Materials Department of ChemistryTsinghua UniversityBeijing 100084China College of Chemistry and Green Catalysis Center Zhengzhou UniversityZhengzhou 450001China State Key lab.of Organic-Inorganic Composites and beijing Advanced Innovation Center for Soft Matter Science and Engineering Beijing University of Chemical TechnologyBeijing 100029China beijing synchrotron radiat.on Facility Institute of High Energy PhysicsChinese Academy of SciencesBeijing 100049China Energy&Catalysis Center School of Materials Science and EngineeringBeijing Institute of TechnologyBeijing 100081China

The electrochemical CO_(2) reduction reaction(CO_(2)RR)has received widespread attention as a promising method for producing sustainable chemicals and mitigating the global ***,we demonstrate a general and facile synthetic route for the metal-nitrogen-carbon(M-N-C)type catalyst by simply calcinating metal acetate and urea with commercial carbon black,which have potential application in CO_(2)*** synthesized Ni-NC-600 catalyst has the structure of single Ni atom coordinated with one N atom and three C atoms(Ni-N_(1)C_(3)),which is suggested by X-ray absorption *** Ni-NC-600 catalyst exhibits high CO_(2)RR catalytic performance and a high CO Faraday efficiency above 98%in a wide potential range from-0.7 to-1.3 V(*** hydrogen electrode(RHE)),superior to most of the reported Ni-N-C *** work has developed a facile strategy to synthesize high performance CO_(2)RR catalyst.

关键词： nickel single atom catalyst CO_(2)reduction reaction CO production electrocatalyst

A harmonic-wave bio-thermal method for continuous monitoring skin thermal conductivity and capillary perfusion rate

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Nano Research 2024年第5期17卷 4420-4427页

作者： Yuxin Ouyang Jie Lin Jiajing Pei Rui Sui Di Liu Yanhui Feng Lin Qiu School of Energy and Environmental Engineering University of Science and Technology BeijingBeijing 100083China Ningbo Institute of Materials Technology and Engineering Chinese Academy of SciencesNingbo 315201China beijing synchrotron radiat.on Facility Institute of High Energy PhysicsChinese Academy of SciencesBeijing 100049China Department of Chemistry Tsinghua UniversityBeijing 100084China Institute of Analysis and Testing Beijing Academy of Science and TechnologyBeijing 100089China

The revelation of thermal energy exchange mechanism of human body is challenging yet worthwhile,because it can clearly explain the changes in human symptoms and health ***,the heat transfer of the skin is significant because the skin is the foremost organ for the energy exchange between the human body and the *** order to diagnose the physiological conditions of human skin without causing any damage,it is necessary to use a non-invasive measurement technique by means of a conformal flexible *** harmonic method can minimize the thermal-induced injury to the skin due to its low heat generating properties.A novel type of computational theory assessing skin thermal conductivity,blood perfusion rate of capillaries in the dermis,and superficial subcutaneous tissues was formed by combining the multi-medium thermal diffusion model and the bio-thermal model(Pennes equation).The skins of the hand back of six healthy subjects were *** was found that the results revealed no consistent changes in thermal conductivity were observed across genders and *** measured blood perfusion rates were within the range of human capillary *** was found that female subjects had a higher perfusion rate range(0.0058-0.0061 s^(-1))than male subjects(0.0032-0.0049 s^(-1)),which is consistent with invasive medical studies about the gender difference in blood flow rates and stimulated effects in relaxation situations.

关键词： thermal conductivity blood perfusion rate harmonic method Pennes equation

DSAS:A new macromolecular substructure solution program based on the modified phase-retrieval algorithm

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Chinese Physics B 2024年第5期33卷 125-132页

作者：付兴科谭振希耿直刘茜丁玮 beijing National lab.ratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100190China beijing Yunlu Technology Co. Ltd.Beijing 100161China beijing synchrotron radiat.on Facility Institute of High Energy PhysicsChinese Academy of SciencesBeijing 100049China School of Physical Sciences University of Chinese Academy of SciencesBeijing 100049China Songshan Lake Materials lab.ratory Dongguan 523808China

Considering the pivotal role of single-wavelength anomalous diffraction(SAD) in macromolecular crystallography,our objective was to introduce DSAS,a novel program designed for efficient anomalous scattering substructure *** stands out with its core components:a modified phase-retrieval algorithm and automated parameter *** software boasts an intuitive graphical user interface(GUI),facilitating seamless input of essential data and real-time *** testing on DSAS has involved diverse datasets,encompassing proteins,nucleic acids,and various anomalous scatters such as sulfur(S),selenium(Se),metals,and *** results confirm DSAS’s exceptional performance in accurately determining heavy atom positions,making it a highly effective tool in the field.

关键词： DSAS single-wavelength anomalous diffraction automated parameters settings phase-retrieval algorithm substructure determination

Anti-aging performance improvement and enhanced combustion efficiency of boron via the coating of PDA

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Defence Technology（防务技术） 2024年第3期33卷 399-410页

作者： Shuai Ma Qinghai Shu Mengyang Zhang Hongyu Huang Yansong Shi Xijuan Lv Shuai Zhao School of Materials Science and Engineering Beijing Institute of TechnologyBeijing100081China Key lab.of Advanced Optoelectronic Quantum Architecture and Measurement(MOE) Beijing Key Lab of Nanophotonics&Ultrafine Optoelectronic SystemsSchool of PhysicsBeijing Institute of TechnologyBeijing100081China Tangshan Research Institute of beijing Institute of Technology Tangshan063000HebeiChina

Boron is an ambitious fuel in energetic materials since its high heat release values,but its application is prohibited by low combustion efficiency and oxidization during *** polydopamine(PDA)was introduced into boron particles,investigating the impact of PDA content on the energetic behavior of *** results indicated that the PDA coating formed a fishing net structure on the surface of boron *** heat release results showed that the combustion calorific value of B@PDA was higher than that of the raw ***,the actual combustion heat of boron powder in B@10%PDA increased by 38.08%.Meanwhile,the DSC peak temperature decreased by 100.65℃under similar oxidation rate compared to raw ***,the B@PDA@AP and B@AP composites were prepared,and their combustion properties were *** was demonstrated that B@10%PDA@AP exhibited superior performance in terms of peak pressure and burning time,*** peak pressure is 12.43 kPa more than B@AP and burning time is 2.22 times higher than B@***,the coating of PDA effectively inhibits the oxidization of boron during storage and enhances the energetic behavior of boron and corresponding composites.

关键词： Boron particles Polydopamine Anti-aging performance improvement Heat release