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Synergistic effect of bonding heterogeneity and phonon localization in introducing excellent thermoelectric properties in layered heteroanionic NdZnSbO material

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Journal of Energy Chemistry 2025年第1期100卷 259-272页

作者： Da Wan Shuwei Tang Shulin Bai Xiaodong Li Peng Ai Wanrong Guo Tuo Zheng College of materials Science and Engineering Liaoning Technical University faculty of Chemistry Northeast Normal University

Layered rare-earth metal oxides, harnessing the dual properties of oxides and two-dimensional layered materials, exhibit remarkable thermal stability and quantum confinement effects. Therefore, this work adopts the first-principles calculation combined with the Boltzmann transport theory to predict the thermoelectric properties of NdZnSbO compound. The coexistence of weak interlayer van der Waals interactions, robust intralayer ionic bonding, and partial covalent bonding leads to remarkable bonding heterogeneity, which engenders pronounced phonon scattering and imposes constraints on thermal transport along the out-of-plane direction. The weakened chemical bonds induced by the antibonding states, together with the rattling-like behavior of the Zn atom, culminate in the profound anharmonicity in the layered NdZnSbO compound. The weakening bond and heavy element contribute to the softness of phonon modes, which significantly diminishes the phonon group velocity. The redistribution-dominated four-phonon scattering process spans a large optical gap, which effectively reduces the lattice thermal conductivity. The NdZnSbO compound exhibits direct semiconductor characteristic with a bandgap of 0.73 e V by adopting the Heyd-Scuseria-Ernzerhof(HSE06) functional in combination with spin–orbit coupling(SOC) effect. The multi-valley feature of NdZnSbO compound augur favorably for band degeneracy, thus amplifying the power factor. Consequently, an optimal figure-of-merit(ZT) of 3.40 at 900 K is achieved for the n-type NdZnSbO compound. The present study delves deeply insights into the origins for the low thermal conductivity of NdZnSbO compound and proposes an optimization scheme to enhance overall thermoelectric performance.

关键词： Bond strength (chemical)

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Tannin characterization and sourcing in historical leathers through FTIR spectroscopy and PCA analysis

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Collagen and Leather 2023年第3期5卷 73-81页

作者： Alireza Koochakzaei Mohammadamin Sabaghian faculty of cultural materials conservation Tabriz Islamic Art UniversityTabrizIslamic Republic of Iran

This study aimed to identify and classify the type of plants used for tanning historical leathers using cost-effective Fourier transform infrared(FTIR)*** investigation was carried out on five plants(oak bark,sumac,valonia,tara,and gallnut)and four historical leather samples from book bindings dating back to the Qajar *** extraction from both plants and leathers was performed using acetone-water solvent,and the samples were then subjected to FTIR ***-processing of the spectra included baseline correction,smoothing,and *** component analysis(PCA)was used to identify the source of tannins based on FTIR *** was found to provide a good separation of condensed tannins from hydrolysable ***,PCA analysis allowed for the separation and identification of the type of plant used for tannin *** examination of historical leather samples revealed that the primary classification based on the type of tannin is possible,but accurate identification faces challenges due to structural changes and degradation over time.

关键词： Vegetable tanning Tannin characterization Historical leather FTIR PCA Hydrolysable tannins

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Machine Learning Techniques in Predicting Hot Deformation Behavior of Metallic materials

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Computer Modeling in Engineering & Sciences 2025年第1期142卷 713-732页

作者： Petr Opela Josef Walek Jaromír Kopecek Department of Metallurgical Technologies Faculty of Materials Science and TechnologyVSB–Technical University of OstravaOstrava70800Czech Republic FZU—Institute of Physics of the Czech Academy of Sciences Prague18200Czech Republic

In engineering practice,it is often necessary to determine functional relationships between dependent and independent *** relationships can be highly nonlinear,and classical regression approaches cannot always provide sufficiently reliable ***,Machine Learning(ML)techniques,which offer advanced regression tools to address complicated engineering issues,have been developed and widely *** study investigates the selected ML techniques to evaluate their suitability for application in the hot deformation behavior of metallic *** ML-based regression methods of Artificial Neural Networks(ANNs),Support Vector Machine(SVM),Decision Tree Regression(DTR),and Gaussian Process Regression(GPR)are applied to mathematically describe hot flow stress curve datasets acquired experimentally for a medium-carbon *** the GPR method has not been used for such a regression task before,the results showed that its performance is the most favorable and practically unrivaled;neither the ANN method nor the other studied ML techniques provide such precise results of the solved regression analysis.

关键词： Machine learning Gaussian process regression artificial neural networks support vector machine hot deformation behavior

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Traditional mortar represented by sticky rice lime mortar——One of the great inventions in ancient China

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Science China(Technological Sciences) 2009年第6期52卷 1641-1647页

作者： YANG FuWei ZHANG BingJian PAN ChangChu ZENG YuYao Laboratory of cultural Relics conservation materials Department of ChemistryZhejiang UniversityHangzhou 310027China

The development of traditional lime-based bond in ancient times was reviewed in this *** was proved by a lot of historical data that the application of organic materials in inorganic mortar was a sharp-cut characteristic during the developing process of construction gelled materials in ancient *** important role sticky rice mortar ever played and the historical significance were *** to the excellent performance,such as high adhesive strength,good toughness,water-proof and so on,traditional mortar represented by sticky rice mortar should be one of the greatest technological contributions of the day in the *** technology was employed in the study of the sticky rice lime mortar and the researching results of our laboratory and some researchers,including the compo-sition and the mechanism of solidification,were also *** was found that the sticky rice acted as a matrix of bio-mineralization which affected the microstructure of the calcium carbonate crystal and there was cooperation between sticky rice and calcite produced during the solidifying of the sticky rice mortar,which maybe lead to the excellent performance of the *** of excellent performance and importance in science,sticky rice mortar can be regarded as one of the greatest inventions in construction history of *** research of sticky mortar will be of importance for the exploring of ancient momentous invention and the repairing of ancient construction.

关键词： invention sticky rice lime mortar lime bio-mineralization mechanism

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Sol–gel derived porous ultra-high temperature ceramics

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Journal of Advanced Ceramics 2020年第1期9卷 1-16页

作者： Fei LI Xiao HUANG Ji-Xuan LIU Guo-Jun ZHANG State Key Laboratory for Modification of Chemical Fibers and Polymer materials Institute of Functional MaterialsDonghua UniversityShanghai 201620China Institute for the conservation of cultural Heritage Shanghai UniversityShanghai 200444China

Ultra-high temperature ceramics(UHTCs)are considered as a family of nonmetallic and inorganic materials that have melting point over 3000℃.Chemically,nearly all UHTCs are borides,carbides,and nitrides of early transition metals(e.g.,Zr,Hf,Nb,Ta).Within the last two decades,except for the great achievements in the densification,microstructure tailoring,and mechanical property improvements of UHTCs,many methods have been established for the preparation of porous UHTCs,aiming to develop high-temperature resistant,sintering resistant,and lightweight materials that will withstand temperatures as high as 2000℃for long periods of *** the synthesis methods for porous UHTCs,sol–gel methods enable the preparation of porous UHTCs with pore sizes from 1 to 500μm and porosity within the range of 60%–95%at relatively low *** this article,we review the currently available sol–gel methods for the preparation of porous ***,foaming,and solvent evaporation methods are described and compared in terms of processing–microstructure *** properties and high temperature resistance of sol–gel derived porous UHTCs are ***,directions to future investigations on the processing and applications of porous UHTCs are proposed.

关键词： sol–gel ultra-high temperature ceramics porous ceramics processing microstructure

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Restoring ancient civilizations with “Herit-materials”:Technological advances in its studies

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Science China(Technological Sciences) 2023年第7期66卷 1952-1974页

作者： MA Xiao LI WeiDong HAN Jing HUANG Xiao LUO HongJie Institute for the conservation of cultural Heritage School of Cultural Heritage and Information ManagementShanghai UniversityShanghai 200444China School of materials Science and Engineering Shanghai UniversityShanghai 200444China Shanghai Institute of Ceramics Chinese Academy of SciencesShanghai 200050China

cultural relics are man-made objects left from ancient times,with historical,artistic,and scientific ***-interdisciplinary research of cultural relics would enable people to obtain a variety of information associated with them,from which the restoration of ancient civilization was *** to natural weathering,many cultural relics are in a fragile state,and conservation treatments that can prolong their lifetime are important,which may involve the use of conservation *** this paper,we define the new term “Herit-materials” as two types of materials,including ancient cultural relics themselves and novel functional materials for conservation *** the first type of Herit-materials-cultural relics themselves,as one type of ancient materials,the concept of the relationship between the structure,composition,performance,and technology of them was *** research paradigm for ancient cultural relics is also *** such a paradigm,the way how analysis and research were performed on ancient cultural relics are illustrated in detail with examples of ancient ceramics and textile ***,as the second type of Herit-materials,three categories of conservation materials,such as emergent conservation materials on archaeological sites,consolidation materials,and cleaning materials were reviewed in detail,including basic concepts,criteria for choosing appropriate materials for conservation purposes,evaluation of the conservation effects after application,along with the application methods of those conservation ***,as Herit-materials’ studies have attracted more and more researchers and have also created new inter-disciplinary research fields,the following research directions are recommended for scholars who have an interest,including the development of the advanced and comprehensive analytical technique of Herit-materials,non-destructive and in-situ characterization & testing of Herit-materials,the database of comp

关键词： cultural relics conservation materials Herit-materials ancient civilization menthol ancient ceramics

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Microinvasive analysis of textile relics from an ancient Silk Road turquoise mining site

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Science China(Technological Sciences) 2023年第8期66卷 2286-2296页

作者： XIAO Wei XIAN YiHeng YU Chun WANG Yan SUN LiJuan LI YuFang Key Laboratory for cultural Heritage Study&conservation Ministry of EducationNorthwest UniversityXi’an 710127China School of cultural Heritage Northwest UniversityXi’an 710127China

The Xinjiang region,with its unique location and climate,exhibits well-preserved relics of great academic *** paper focuses on the microinvasive analysis of textile samples obtained from an ancient turquoise mining site in the Heishanling region of Xinjiang,active between 820 and 400 *** analytical techniques,including optical microscopy,scanning electron microscopy,Fourier-transform infrared spectroscopy with attenuated total reflection,and liquid chromatography-mass spectrometry,were employed to investigate these *** results revealed that the textiles were composed of wool and dyed using indigo and *** bluegrass and madder-derived dyes were likely sourced locally or imported from wetter regions such as the Chinese Central *** infrared deconvolution spectra and the results demonstrated that red and blue dyes considerably influenced the movement of wool fiber chains,leading to a more rapid decay of dyed fibers compared to those that were *** addition,the medium dyeing process and Ke techniques were employed to create unique color shades and special *** scientific and technological analysis of the textiles provides essential data for elucidating the materials available to ancient ***,it offers scientific evidence supporting the cultural exchange between the western regions and the Central Plains and integration along the Silk Road.

关键词： microinvasive analysis textile relics turquoise mining site weave

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Ordered mesoporous nanofibers mimicking vascular bundles for lithium metal batteries

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National Science Review 2024年第5期11卷 291-302页

作者： Xiaohang Zhu Mengmeng Liu Fanxing Bu Xin-Yang Yue Xiang Fei Yong-Ning Zhou Anqi Ju Jianping Yang Pengpeng Qiu Qi Xiao Chao Lin Wan Jiang Lianjun Wang Xiaopeng Li Wei Luo State Key Laboratory for Modification of Chemical Fibers and Polymer materials Institute of Functional Materials College of Materials Science and Engineering Donghua University Institute for conservation of cultural Heritage Shanghai University Frontiers Science Center for Transformative Molecules School of Chemistry and Chemical EngineeringShanghai Jiao Tong University Department of materials Science Fudan University

Hierarchical self-assembly with long-range order above centimeters widely exists in nature. Mimicking similar structures to promote reaction kinetics of electrochemical energy devices is of immense interest, yet remains challenging. Here, we report a bottom-up self-assembly approach to constructing ordered mesoporous nanofibers with a structure resembling vascular bundles via electrospinning. The synthesis involves self-assembling polystyrene（PS） homopolymer, amphiphilic diblock copolymer, and precursors into supramolecular micelles. Elongational dynamics of viscoelastic micelle solution together with fast solvent evaporation during electrospinning cause simultaneous close packing and uniaxial stretching of micelles, consequently producing polymer nanofibers consisting of oriented micelles. The method is versatile for the fabrication of large-scale ordered mesoporous nanofibers with adjustable pore diameter and various compositions such as carbon, SiO2, TiO2and WO3. The aligned longitudinal mesopores connected side-by-side by tiny pores offer highly exposed active sites and expedite electron/ion transport. The assembled electrodes deliver outstanding performance for lithium metal batteries.

关键词： ordered mesoporous nanofibers electrospinning oriented micelles lithium metal batteries

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Luminescent properties of Mg_(1.99)SnO_(4):0.01Mn^(2+)phosphors dopedwith Zn^(2+)

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Journal of Materiomics 2023年第3期9卷 510-515页

作者： Ge Gao Qiang Li Pengxiao Hao Xiao Huang Hongjie Luo School of materials Science and Engineering Shanghai UniversityShanghai200444China Institute for the conservation of cultural Heritage Shanghai UniversityShanghai200444China Shanghai Institute of Ceramics Chinese Academy of SciencesShanghai200050China

n this work,a series of Zn_(x)Mg_(1.99-x)SnO_(4):0.01Mn^(2+)(x=0,0.01,0.02,0.03,0.04)green long afterglow phosphors are prepared by high-temperature solid-phase *** photoluminescence and long afterglow performance of host material doped with Zn^(2+)are *** results show that the emission peak of Mn^(2+)is red-shifted by 5 nm with increasing Zn^(2+)***_(0.03)Mg_(1.96)SnO_(4):0.01Mn^(2+)phosphor has the strongest green luminescence intensity with the chroma-ticity coordinates of(0.0857,0.6083)under 270 nm,and Zn_(0.01)Mg_(1.98)SnO_(4):0.01Mn^(2+)phosphor has su-perior long afterglow performance with average lifetime of *** afterglow decay and thermoluminescence curve of phosphor are used to explain the mechanism of long afterglow ***,the afterglow intensity distribution of each pixel in Zn_(0.01)Mg_(1.98)SnO_(4):0.01Mn^(2+)coating samples is carried out by hyperspectral imaging,and the optimal luminescence intensity and uniformity of the sample are obtained at a phosphor/epoxy mass ratio of ***,Zn_(0.01)Mg_(1.98)SnO_(4):0.01Mn^(2+)can be a potential candidate of novel long afterglow phosphors,and hyperspectral imaging also provides new research approaches for the rational proportioning of luminescent materials.

关键词： Long afterglow luminescent Mg_(1.99)SnO_(4):0.01Mn^(2+) Hyperspectral imaging

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Analysis of proteinaceous binding media used in Tang Dynasty polychrome pottery by MALDI-TOF-MS

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Chinese Science Bulletin 2013年第24期58卷 2932-2937页

作者： YAN HongTao AN JingJing ZHOU Tie LI YuHu Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education College of Chemistry and Materials Science Northwest University Key Scientific Research Base of Ancient Polychrome Pottery conservation State Administration for Cultural Heritage Museum of Emperor Qin Shihuang's Terracotta Army The Engineering Research Center of Historical cultural Heritage conservation Ministry of Education Shaanxi Normal University

The proteinaceous binding media used in Tang Dynasty polychrome pottery was determined using matrix-assisted laser desorption/ionization time of flight mass spectrometry (MALDI-TOF-MS). The optimum conditions for the extraction and subsequent enzymatic hydrolysis of the protein sample were established, and applied to the pretreatment of model and historical samples. Complexation of EDTA in combination with dialysis was determined to be the most effective method for eliminating interferences in polychrome layers taken from historical samples. Model samples were aged by burial in loess so as to more closely replicate the ageing process of the historical samples. Using the aforementioned optimized conditions, the "peptide mass fingerprint" of the binding media of historical and model samples was determined by MALDI-TOF-MS. Comparisons between the "peptide mass fingerprint" obtained for the historical sample and those of the model samples proved that animal glue was used as the binding media for the Tang Dynasty polychrome pottery. It also shows that animal glue used as binding media enjoys a long history in China.

关键词： MALDI-TOF-MS 蛋白质结合媒体彩瓷唐代肽质量指纹图谱电离飞行时间质谱 EDTA络合

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