检索结果-内蒙古大学图书馆

Non-linear optics at twist interfaces in h-BN/SiC heterostructures

学校读者我要写书评

暂无评论

arXiv 2023年

作者： Biswas, Abhijit Xu, Rui Alvarez, Gustavo A. Zhang, Jin Christiansen-Salameh, Joyce Puthirath, Anand B. Burns, Kory Hachtel, Jordan A. Li, Tao Iyengar, Sathvik Ajay Gray, Tia Li, Chenxi Zhang, Xiang Kannan, Harikishan Elkins, Jacob Pieshkov, Tymofii S. Vajtai, Robert Birdwell, A. Glen Neupane, Mahesh R. Garratt, Elias J. Ivanov, Tony Pate, Bradford B. Zhao, Yuji Zhu, Hanyu Tian, Zhiting Rubio, Angel Ajayan, Pulickel M. Department of Materials Science and Nanoengineering Rice University HoustonTX77005 United States Sibley School of Mechanical and Aerospace Engineering Cornell University IthacaNY14853 United States Max Planck Institute for the Structure and Dynamics of Matter Center for Free-Electron Laser Science Luruper Chaussee 149 22761 Germany Department of Materials Science & Engineering University of Virginia CharlottesvilleVA22904 United States Center for Nanophase Materials Sciences Oak Ridge National Laboratory Oak RidgeTN37831 United States Department of Electrical and Computer Engineering Rice University HoustonTX77005 United States DEVCOM Army Research Laboratory RF Devices and Circuits AdelphiMD20783 United States Chemistry Division Naval Research Laboratory WashingtonDC20375 United States Applied Physics Graduate Program Smalley-Curl Institute Rice University HoustonTX77005 United States Flatiron Institute New YorkNY10010 United States

Understanding the emergent electronic structure in twisted atomically thin layers has led to the exciting field of twistronics. However, practical applications of such systems are challenging since the specific angular correlations between the layers must be precisely controlled and the layers have to be single crystalline with uniform atomic ordering. Here, we suggest an alternative, simple and scalable approach where nanocrystalline two-dimensional (2D) film on three-dimensional (3D) substrates yield twisted-interface-dependent properties. Ultrawidebandgap hexagonal boron nitride (h-BN) thin films are directly grown on high in-plane lattice mismatched wide-bandgap silicon carbide (4H-SiC) substrates to explore the twist-dependent structure-property correlations. Concurrently, nanocrystalline h-BN thin film shows strong nonlinear second-harmonic generation and ultra-low cross-plane thermal conductivity at room temperature, which are attributed to the twisted domain edges between van der Waals stacked nanocrystals with random in-plane orientations. First-principles calculations based on time-dependent density functional theory manifest strong even-order optical nonlinearity in twisted h-BN layers. Our work unveils that directly deposited 2D nanocrystalline thin film on 3D substrates could provide easily accessible twist-interfaces, therefore enabling a simple and scalable approach to utilize the 2D-twistronics integrated in 3D material devices for next-generation nanotechnology. © 2023, CC BY.

关键词： Harmonic generation

Cover Feature: Mechanical Bond Induced Enhancement and Purification of Pyrene Emission in the Solid State (Chem. Eur. J. 42/2024)

学校读者我要写书评

暂无评论

Chemistry – A European Journal 2024年第42期30卷

作者： Shu Zhang Ru Zhou Ningjin Zhang Yi An Zhiyang Liu Xu-Man Chen Quan Li Institute of Advanced Materials and School of Chemistry and Chemical Engineering Southeast University Nanjing 211189 China Instrumental Analytical Centre Shanghai Jiao Tong University Shanghai 201100 China Materials Science Graduate Program Kent State University Kent OH 44242 USA

Magnetism and magnetocaloric properties of Co1−xMnxCr2O4

学校读者我要写书评

暂无评论

arXiv 2023年

作者： Cooley, Joya A. Dairaghi, Gregor Moore, Guy C. Horton, Matthew K. Schueller, Emily C. Persson, Kristin A. Seshadri, Ram Department of Chemistry and Biochemistry California State University FullertonCA92834 United States Department of Physics Carleton College NorthfieldMN55057 United States Applied Physics Graduate Program Northwestern University EvanstonIL60208 United States Department of Materials Science and Engineering University of California Berkeley BerkeleyCA94720 United States Materials Science Division Lawrence Berkeley National Laboratory BerkeleyCA94720 United States Materials Research Laboratory University of California Santa BarbaraCA93106 United States Materials Department University of California Santa BarbaraCA93106 United States Molecular Foundry Lawrence Berkeley National Laboratory BerkeleyCA94720 United States Department of Chemistry and Biochemistry University of California Santa BarbaraCA93106 United States

Co1−xMnxCr2O4 crystallizes as a normal spinel in the cubic Fd3m space group, and the end members have been reported to display a region of collinear ferrimagnetism as well as a low-temperature spin-spiral state with variable coherence lengths from 3 nm to 10 nm in polycrystalline samples. Here, we present the synthesis of the entire solid solution, and data showing that the ferrimagnetic ordering temperature as well as the spin-spiral lock-in temperature are tunable with the Co/Mn ratio. The peak magnetocaloric entropy change was determined to be ∆SM = −5.63 J kg −1K −1 in an applied magnetic field change of ∆H = 0 T to 5 T for the Mn end-member at the ferrimagnetic ordering temperature. Using density functional theory (DFT), we explore the shortcomings of the magnetic deformation proxy to identify trends in ∆SM across composition in this spinel system, and explore future extensions of theory to address these discrepancies. Copyright © 2023, The Authors. All rights reserved.

关键词： Temperature

Unraveling the bioenergy production and electron transport characteristics of processed Rheum palmatum L. for antiviral drug development

学校读者我要写书评

暂无评论

Industrial Crops and Products 2023年第1期195卷

作者： Tsai, Po-Wei Hsieh, Cheng-Yang Ting, Jasmine U. Rogio, Kristian Gil G. Lee, Chia-Jung De Castro-Cruz, Kathlia A. Ciou, Yi-Ru Lien, Tzu-Kuan Yang, Ling-Ling Hsueh, Chung-Chuan Chen, Bor-Yann Department of Medical Science Industries College of Health Sciences Chang Jung Christian University Tainan711 Taiwan Ph.D. Program in Clinical Drug Development of Herbal Medicine College of Pharmacy Taipei Medical University Taipei110 Taiwan Department of Chemistry College of Science De La Salle University Metro Manila1004 Philippines School of Chemical Biological and Materials Engineering and Sciences Mapúa University Metro Manila1002 Philippines Graduate Institute of Pharmacognosy College of Pharmacy Taipei Medical University Taipei110 Taiwan Traditional Herbal Medicine Research Center Taipei Medical University Hospital Taipei110 Taiwan Department of Chemical and Materials Engineering National I-Lan University I-Lan260 Taiwan American College of Acupuncture & Oriental Medicine HoustonTX77063 United States

To bridge western and traditional Chinese medicine, research in Chinese medicinal herbs has become an increasing trend for discovering new effective antiviral drugs. In addition, this pioneer study disclosed that synergistic interactions of electron-mediating contents in herbal medicines through electrochemical catalysis of electron shuttles could trigger effective disease treatment via electron transport stimulation as the platform of microbial fuel cells (MFCs) indicated. Hence, this study first attempted to decipher the bioenergy-assisted action of R. palmatum L. for antiviral assessment. Several processing methods can be performed to maximize phytoconstituent extraction and efficiency that can influence the chemical profile and bioactivity of herbal samples. To generate a comparative analysis, R. palmatum L. roots are subjected to several processing methods and are evaluated through phytochemical screening, antioxidant activity, high-performance liquid chromatography analysis, and dual-chambered-MFCs for bioenergy production. Molecular docking analysis of marker substances was also employed to establish the potential of R. palmatum L. for antiviral drug development. Ethanol extracts are revealed to be toxic for MFCs despite having increased phenolic compounds. Overall, vinegar-processed Rheum palmatum water extracts exhibited the highest bioenergy-stimulating capabilities and antioxidant activity. Furthermore, rhein from the same extract was found to exhibit strong binding affinities towards Flaviviridate viruses and can potentially inhibit NS5B polymerase from the Hepatitis C Virus. This study clearly suggests the potential of R. palmatum L. roots as a promising herb for antiviral drug development. This work also provided a novel protocol for prescreening candidate species for antiviral drug development. © 2023 Elsevier B.V.

关键词： Extraction

Polarization entanglement enabled by orthogonally stacked van der Waals NbOCl2 crystals

学校读者我要写书评

暂无评论

arXiv 2024年

作者： Guo, Qiangbing Wu, Yun-Kun Zhang, Di Zhang, Qiuhong Guo, Guang-Can Alù, Andrea Ren, Xi-Feng Qiu, Cheng-Wei Department of Electrical and Computer Engineering National University of Singapore Singapore Singapore Centre for Advanced 2D Materials Graphene Research Centre National University of Singapore Singapore Singapore CAS Key Laboratory of Quantum Information CAS Synergetic Innovation Center of Quantum Information & Quantum Physics University of Science and Technology of China Hefei China Hefei National Laboratory University of Science and Technology of China Hefei China Photonics Initiative Advanced Science Research Center City University of New York New York United States Physics Program Graduate Center City University of New York New York United States The Key Laboratory of Weak-Light Nonlinear Photonics Ministry of Education School of Physics TEDA Applied Physics Institute Nankai University Tianjin China School of Chemistry and Materials Science Hangzhou Institute for Advanced Study University of Chinese Academy of Sciences Hangzhou China

Polarization entanglement holds significant importance for photonic quantum technologies. Recently emerging subwavelength nonlinear quantum light sources, e.g., GaP and LiNbO3 thin films, benefiting from the relaxed phase-matching constraints and volume confinement, has shown intriguing properties, such as high-dimensional hyperentanglement and robust entanglement anti-degradation. Van der Waals (vdW) NbOCl2 crystal, renowned for its superior optical nonlinearities, has emerged as one of ideal candidates for ultrathin quantum light sources [Nature 613, 53 (2023)]. However, polarization-entanglement is inaccessible in NbOCl2 crystal due to its unfavorable nonlinear susceptibility tensor. Here, by leveraging the twist-stacking degree of freedom inherently in vdW systems, we showcase the preparation of tunable polarization entanglement and quantum Bell states. Our work not only provides a new and tunable polarization-entangled vdW photon-pair source, but also introduces a new knob in engineering the entanglement state of quantum light at the nanoscale. © 2024, CC BY-NC-ND.

关键词： Van der Waals forces

Flash Sintering with Concurrent Crystallization of Li 1.5Al 0.5Ge 1.5(PO 4) 3 Glass

学校读者我要写书评

暂无评论

SSRN

SSRN 2022年

作者： Campos, João V. Lavagnini, Isabela Reis Zallocco, Vinicius Martins Ferreira, Eduardo B. de Jesus Agnolon Pallone, Eliria Maria Rodrigues, Ana Candida Martins Graduate Program in Materials Science and Engineering Federal University of São Carlos SP São Carlos13635-905 Brazil Department of Materials Engineering Federal University of São Carlos SP São Carlos13635-905 Brazil Center for Research Technology and Education of Vitreous Materials CeRTEV FAPESP LaMaV DEMa/UFSCar SP São Carlos13635-905 Brazil Department of Biosystem Engineering University of São Paulo USP Av. Duque de Caxias Norte 225 SP Pirassununga13635-900 Brazil Postgraduate Programme in Materials Science and Engineering University of São Paulo USP FZEA Av. Duque de Caxias Norte 225 Pirassununga13635-900 Brazil Department of Materials Engineering São Carlos School of Engineering University of São Paulo USP SP São Carlos13566-590 Brazil

Single-phased Li1.5Al0.5Ge1.5(PO4)3NaSICON (Na superionic conductor) glass-ceramic is obtained via a new route using flash-sinter crystallization . Green pellets of glass powder are sinter-crystallized in a few seconds. Our results suggest that controlling the current rise during the flash event is needed to avoid overheating that could cause the melting of the samples. A processing map for the flash sinter-crystallization of Li1.5Al0.5Ge1.5(PO4)3 is developed and presented based on the current density and holding time at the steady-state. The samples fabricated by flash sinter-crystallization are compared with conventionally heated ones. Using this novel technique, single-phase glass-ceramics were obtained with total ionic conductivity at room temperature surpassing those prepared by conventional heating (2.26 10-4S cm-1 and 1.36 10-4S cm-1, respectively). © 2022, The Authors. All rights reserved.

关键词： Solid electrolytes

Optimal stimulation of Citrus reticulate for bioenergy extraction in MFCs and antioxidant activity via traditional Chinese medicine processing methods

学校读者我要写书评

暂无评论

Journal of the Taiwan Institute of Chemical Engineers 2023年 143卷

作者： Tsai, Po-Wei Rogio, Kristian Gil G. Hsieh, Cheng-Yang Cruz, Kathlia A. De Castro Lee, Chia-Jung Hsueh, Chung-Chuan Huang, Ting-Ning Lu, Wei-Zhun Xie, Zong-Lin Jheng, Yong-Ni Chen, Bor-Yann Department of Medical Science Industries College of Health Sciences Chang Jung Christian University Tainan711 Taiwan School of Chemical Biological and Materials Engineering and Sciences Mapúa University 1002 Metro Manila Philippines PhD. Program in Clinical Drug Development of Herbal Medicine College of Pharmacy Taipei Medical University Taipei110 Taiwan Graduate Institute of Pharmacognosy College of Pharmacy Taipei Medical University Taipei110 Taiwan Traditional Herbal Medicine Research Center Taipei Medical University Hospital Taipei110 Taiwan Department of Chemical and Materials Engineering National I-Lan University I-Lan 260 Taiwan

Background: Value added production of polyphenolic rich citrus peels in the form of agricultural waste valorization and as a medicinal herb holds exceptional practicality. Potential applications as natural electron shuttles for bioenergy production further valorizes citrus peels in a bid to promote sustainable energy generation. This first-attempt study thus tended to decipher the stimulating effects of traditional medicinal processing methods to augment the electron mediating capabilities of Citrus reticulate peels. Methods: Dried C. reticulate peels were subjected to stir-frying with individual adjuvants (e.g., vinegar, honey, soil, and bran) and analyzed via phytochemical analysis, antioxidant activity, and anti-inflammatory activity. Moreover, microbial fuel cells were used to evaluate the electron shuttling characteristics of the processed C. reticulate for bioenergy extraction. Significant findings: It was indicated that solid adjuvants (e.g., bran and soil) coupled with stir-frying were found to increase the phytochemical content (e.g., total phenols, flavonoids, and condensed tannins) of C. reticulate peels. Consequently, according to comparative analysis, bran stir-fried extracts with optimal processing methods further stimulate the ES characteristics of C. reticulate for bioenergy extraction. Enhanced power generation capacity was attributed to the chemical and physical changes of the bioactive compounds as a result of the processing methods. Furthermore, principal component analysis reveals that FRAP assay and total flavonoid content serve as a preliminary investigation for revealing the electron transport characteristics of C. reticulate. © 2023

关键词： Principal component analysis

Evaluation of Solubilization Time in Uncontrolled Atmosphere on Grain Growth, Phase Transformation Temperatures, and Mechanical Properties in a CuAlBe SMA

学校读者我要写书评

暂无评论

Metallurgical and materials Transactions A: Physical Metallurgy and materials science 2025年

作者： da Silva Franco, Luiz Henrique Caluête, Rafael Evaristo de Lima, Bruno Alessandro Silva Guedes de Oliveira, Danniel Ferreira Brito, Ieverton Caiandre Andrade Department of Materials Engineering Federal University of Paraíba PB João Pessoa58051-900 Brazil Department of Mechanical Engineering Federal University of Paraíba PB João Pessoa58051-900 Brazil Graduate Program in Materials Science and Engineering Federal University of Paraíba PB João Pessoa58051-900 Brazil

Thermomechanical properties of SMAs are strongly affected by the metallurgical conditions imposed during their production. In this work, experiments were performed to investigate the behavior of the Cu–11.8Al–0.50Be (wt pct) SMA during solubilization at different times under an uncontrolled atmosphere. The results presented serve as a basis for predicting the macrostructure and thermomechanical properties in practical applications using CuAlBe SMAs. The grain growth evaluated by OM proved to be extremely sensitive to treatment time even after short intervals, tending to stabilize after 12 hours. Chemical analysis by EDS indicated a small variation in Al content produced during solidification, with 3 hours being enough to homogenize the Al concentration throughout the ingot despite producing a microstructure with non-uniform grain size. This variation in Al is not significant enough to influence the phase transformation temperatures, with the changes attributed to the grain growth and loss of Be by oxidation. ¼ hour resulted in the lowest values for maximum stress/strain, while 24 hours of solubilization showed the highest values of strain with small dispersion. The mixed fracture type (brittle/ductile) observed by SEM in the ¼ hour samples supports the hypothesis that ¼ hour is insufficient to dissolve the phases formed during solidification. This effect is aggravated by the strong elastic anisotropy, which contributes to embrittlement during quenching. © The Minerals, Metals & materials Society and ASM International 2025.

关键词： Setting

Assessment of scoring functions for computational models of protein-protein interfaces

学校读者我要写书评

暂无评论

arXiv 2024年

作者： Sumner, Jacob Meng, Grace Brandt, Naomi Grigas, Alex T. Córdoba, Andrés Shattuck, Mark D. O’Hern, Corey S. Graduate Program in Computational Biology and Bioinformatics Yale University New HavenCT06520 United States Integrated Graduate Program in Physical and Engineering Biology Yale University New HavenCT06520 United States Department of Chemistry Yale University New HavenCT06520 United States Department of Physics Yale University New HavenCT06520 United States Department of Chemistry Duke University DurhamNC27708 United States Department of Physics Duke University DurhamNC27708 United States Benjamin Levich Institute Physics Department City College of New York New YorkNY10031 United States Department of Mechanical Engineering and Materials Science Yale University New HavenCT06520 United States Department of Applied Physics Yale University New HavenCT06520 United States

A goal of computational studies of protein-protein interfaces (PPIs) is to predict the binding site between two monomers that form a heterodimer. The simplest version of this problem is to rigidly re-dock the bound forms of the monomers, which involves generating computational models of the heterodimer and then scoring them to determine the most native-like models. Scoring functions have been assessed previously using rank- and classification-based metrics, however, these methods are sensitive to the number and quality of models in the scoring function training set. We assess the accuracy of seven PPI scoring functions by comparing their scores to a measure of structural similarity to the x-ray crystal structure (i.e. the DockQ score) for a non-redundant set of heterodimers from the Protein Data Bank. For each heterodimer, we generate re-docked models uniformly sampled over DockQ and calculate the Spearman correlation between the PPI scores and DockQ. For some targets, the scores and DockQ are highly correlated;however, for many targets, there are weak correlations. Several physical features can explain the difference between difficult- and easy-to-score targets. For example, strong correlations exist between the score and DockQ for targets with highly intertwined monomers and many interface contacts. We also develop a new score based on only three physical features that matches or exceeds the performance of current PPI scoring functions. These results emphasize that PPI prediction can be improved by focusing on correlations between the PPI score and DockQ and incorporating more discriminating physical features into PPI scoring functions. © 2024, CC BY.

关键词： Monomers