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arXiv 2025年

作者： Wang, Yuxuan Zacharias, Marios Zhang, Xiao Pant, Nick Even, Jacky Poudeu, Pierre F.P. Kioupakis, Emmanouil Department of Materials Science and Engineering University of Michigan Ann ArborMI48109 United States Univ Rennes INSA Rennes CNRS Institut FOTON - UMR 6082 RennesF-35000 France Applied Physics Program University of Michigan Ann ArborMI48109 United States Oden Institute for Computational Engineering and Sciences The University of Texas at Austin AustinTX78712 United States

Relying on the anharmonic special displacement method, we introduce an ab initio quasistatic polymorphous framework to describe local disorder, anharmonicity, and electron-phonon coupling in superionic conductors. Using the example of cubic Cu2Se, we show that positional polymorphism yields extremely overdamped anharmonic vibrations while preserving transverse acoustic phonons, consistent with experiments. We also demonstrate well-defined electronic band structures with large band gap openings due to polymorphism of 1.0 eV and calculate anharmonic electron-phonon renormalization, yielding band gap narrowing with increasing temperature in agreement with previous measurements. Our approach opens the way for efficient ab initio electronic structure calculations in superionic crystals to elucidate their compelling high figure-of-merit. © 2025, CC BY-NC-ND.

关键词： Energy gap

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Facile synthesis of metal-polyphenol-formaldehyde coordination polymer colloidal nanoparticles with sub-50 nm for T_(1)-weighted magnetic resonance imaging

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Chinese Chemical Letters 2021年第2期32卷 842-848页

作者： Jing Qin Guohai Liang Bingxi Feng Gen Wang Na Wu Yonghui Deng Ahmed AElzatahry Abdulaziz Alghamdi Yongxi Zhao Jing Wei The Key Laboratory of Biomedical Information Engineering of Ministry of Education School of Life Science and TechnologyXi'an Jiaotong UniversityXi'an 710049China College of Biophotonics South China Normal UniversityGuangzhou 510631China Department of Chemistry Fudan UniversityShanghai 200433China Materials Science and Technology Program College of Arts and SciencesQatar UniversityPO Box 2713DohaQatar Department of Chemistry College of ScienceKing Saud UniversityP.O.Box 2455Riyadh 11451Saudi Arabia

Plant polyphenol-based coordination polymers(CPs) with ultra-small particle size and tailorable compositions are highly desired in biomedical applicatio ns,but their synthesis is still challenging due to the sophisticated coordination assembly process and unavoidable self-oxidation polymerization of polyphenol. He rein,a general ligand covalent-modification mediated coordination assembly strategy is proposed for the synthesis of water-dispersible CPs with tunable metal species(e.g., Gd,Cu,Ni,Zn,Fe)and ultra-small diameter(8.6-37.8 nm) using nontoxic plant polyphenol(e.g..tannic acid,gallic acid) as a polymerizable *** molecules react with formaldehyde firstly,which can effectively retard the oxidation induced self-polymerization of polyphenol and lead to the formation of metal ions containing CPs colloidal *** ultrafine nanoparticles with stably chelated metal io ns are highly water dispersible and thus advantageous for *** an example,ultra-small Gd contained CPs exhibit higher longitudinal relaxivity(r_(1)=25.5 L mmol^(-1) s^(-1)) value with low r2/r1(1.19) than clinically used Magnevist(Gd-DTPA,r1=3.7 L mmol^(-1) s^(-1)) .Due to the enhanced permeability and retention effect,they can be further used as a positive contrast agent for T1-weighted MR imaging of tumour.

关键词： Coordination polymer Nanoparticle Self-assembly Plant polyphenol Contrast agent

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A single n-type semiconducting polymer-based photo-electrochemical transistor

arXiv

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arXiv 2023年

作者： Druet, Victor Ohayon, David Petoukhoff, Christopher E. Zhong, Yizhou Alshehri, Nisreen Koklu, Anil Nayak, Prem D. Salvigni, Luca Almulla, Latifah Surgailis, Jokubas Griggs, Sophie McCulloch, Iain Laquai, Frédéric Inal, Sahika Biological and Environmental Science and Engineering Division Organic Bioelectronics Laboratory Thuwal23955-6900 Saudi Arabia KAUST Solar Center Physical Science and Engineering Division Materials Science and Engineering Program KAUST Thuwal23955-6900 Saudi Arabia Physics and Astronomy Department College of Sciences King Saud University Riyadh12372 Saudi Arabia Department of Chemistry Chemistry Research Laboratory University of Oxford OxfordOX1 3TA United Kingdom

Conjugated polymer films that can conduct ionic and electronic charges are central to building soft electronic sensors and actuators. Despite the possible interplay between light absorption and mixed conductivity of these materials in aqueous biological media, no polymer film has ever been used to realize a solar-switchable organic bioelectronic circuit relying on a fully reversible, redox reaction-free mechanism. Here we show that light absorbed by an electron and cation-transporting polymer film reversibly modulates its electrochemical potential and conductivity in an aqueous electrolyte, leveraged to design an n-type photo-electrochemical transistor (n-OPECT). We generate transistor output characteristics by solely varying the intensity of light that hits the n-type polymeric gate electrode, emulating the gate voltage-controlled modulation of the polymeric channel current. The micron-scale n-OPECT shows a high signal-to-noise ratio and an excellent sensitivity to low light intensities. We demonstrate three direct applications of the n-OPECT, i.e., a photoplethysmogram recorder, a light-controller inverter circuit, and a light-gated artificial synapse, underscoring the suitability of this platform for a myriad of biomedical applications that involve light intensity changes. © 2023, CC BY.

关键词： Polymer films

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Tunable Optical Beam Focusing Using Static Water Droplets on an Electrospun Polymer Fiber

SSRN

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SSRN 2024年

作者： Budlayan, Marco Laurence M. Palangyos, Dina C. Patricio, Jonathan N. Arco, Susan D. Guerrero, Raphael A. Department of Physics College of Mathematics and Natural Science Caraga State University Butuan City8600 Philippines Department of Physics School of Science and Engineering Ateneo de Manila University Quezon City1108 Philippines Mathematics and Natural Sciences Department College of Computing Pangasinan State University Pangasinan Urdaneta2428 Philippines Materials Science and Engineering Program College of Science University of the Philippines Diliman Quezon City1101 Philippines Institute of Chemistry College of Science University of the Philippines Diliman Quezon City1101 Philippines Ateneo de Manila University Philippines

This work explores the use of static water microdroplets on a microfiber to vary the width of an optical beam. Varying the water droplet volume changes the beam width without replacing any optical components. A surface derived from glass deposited with polyvinyl chloride (PVC) microfibers via electrospinning was used to sustain the droplet shape on the surface. Scanning electron microscopy revealed the presence of randomly intertwined microfibers with diameters of less than 3 µm which afforded the surface a hydrophobic property. A decrease in the optical transmittance of the films and an increase in the water contact angle were also observed as fiber density increases. Results revealed an increase in the beam size with increasing droplet volume manifesting a defocusing or magnifying effect as the beam passed through the droplets. The beam maintained its Gaussian profile, confirming that the presence of the deposited fibers did not significantly alter the beam type. By using droplets with different liquid volumes (5-60 µL), we replicate the action of a convex lens with varying focal length. © 2024, The Authors. All rights reserved.

关键词： Microfibers

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Leveraging Optical Anisotropy of the Morpho Butterfly Wing for Quantitative, Stain-Free, and Contact-Free Assessment of Biological Tissue Microstructures

arXiv

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arXiv 2024年

作者： Kirya, Paula Mestre-Farrera, Aida Yang, Jing Poulikakos, Lisa V. Department of Mechanical and Aerospace Engineering Program of Materials Science and Engineering UC San Diego 9500 Gilman Drive La Jolla CA92093 United States Department of Pharmacology Moores Cancer Center UC San Diego 3855 Health Sciences Drive La Jolla CA92093 United States Department of Pediatrics UC San Diego 9500 Gilman Drive La Jolla CA92093 United States

Changes in the density and organization of fibrous biological tissues often accompany the progression of serious diseases ranging from fibrosis to neurodegenerative diseases, heart disease and cancer. However, challenges in cost, complexity, or precision faced by existing imaging methodologies pose barriers to elucidating the role of tissue microstructure in disease. Here, we leverage the intrinsic optical anisotropy of the Morpho butterfly wing and introduce Morpho-Enhanced Polarized Light Microscopy (MorE-PoL), a stain- and contact-free imaging platform which enhances and quantifies the birefringent material properties of fibrous biological tissues. We develop a mathematical model, based on Jones calculus, which quantifies fibrous tissue density and organization. As a representative example, we analyze collagen-dense and collagen-sparse human breast cancer tissue sections and leverage our technique to assess the microstructural properties of distinct regions of interest. We compare our results with conventional Hematoxylin and Eosin (H&E) staining procedures and second harmonic generation (SHG) microscopy for fibrillar collagen detection. Our findings demonstrate that our MorE-PoL technique provides a robust, quantitative, and accessible route toward analyzing biological tissue microstructures, with great potential for application to a broad range of biological materials. Copyright © 2024, The Authors. All rights reserved.

关键词： Collagen

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Room-temperature multiple ligands-tailored SnO_(2) quantum dots endow in situ dual-interface binding for upscaling efficient perovskite photovoltaics with high V_(OC)

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Light(science & Applications) 2021年第12期10卷 2467-2481页

作者： Zhiwei Ren Kuan Liu Hanlin Hu Xuyun Guo Yajun Gao Patrick W.K.Fong Qiong Liang Hua Tang Jiaming Huang Hengkai Zhang Minchao Qin Li Cui Hrisheekesh Thachoth Chandran Dong Shen Ming-Fai Lo Annie Ng Charles Surya Minhua Shao Chun-Sing Lee Xinhui Lu Frédéric Laquai Ye Zhu Gang Li Department of Electronic and Information Engineering Research Institute for Smart Energy(RISE)Guangdong-Hong Kong-Macao(GHM)Joint Laboratory for Photonic-Thermal-Electrical Energy Materials and DevicesThe Hong Kong Polytechnic UniversityHung HomKowloonHong KongChina Department of Electrical and Computer Engineering Nazarbayev UniversityNur-SultanKazakhstan The Hong Kong Polytechnic University Shenzhen Research Institute Shenzhen 518057China Hoffmann Institute of Advanced Materials Shenzhen Polytechnic7098 Liuxian BoulevardShenzhen 518055China Department of Applied Physics The Hong Kong Polytechnic UniversityHung HomKowloonHong KongChina Department of Chemical and Biological Engineering The Hong Kong University of Science and TechnologyClear Water BayKowloonHong KongChina King Abdullah University of Science and Technology(KAUST) KAUST Solar Center(KSC)Physical Sciences and Engineering Division(PSE)Material Science and Engineering Program(MSE)Thuwal 23955-6900Kingdom of Saudi Arabia Department of Physics The Chinese University of Hong KongShatin 999077 Hong KongChina Center of Super-Diamond and Advanced Films(COSDAF) Department of ChemistryCity University of Hong KongHong KongChina

The benchmark tin oxide(SnO_(2))electron transporting layers(ETLs)have enabled remarkable progress in planar perovskite solar cell(PSCs).However,the energy loss is still a challenge due to the lack of“hidden interface”*** report a novel ligand-tailored ultrafine SnO_(2) quantum dots(QDs)via a facile rapid room temperature ***,the ligand-tailored SnO_(2) QDs ETL with multi-functional terminal groups in situ refines the buried interfaces with both the perovskite and transparent electrode via enhanced interface binding and perovskite *** novel ETLs induce synergistic effects of physical and chemical interfacial modulation and preferred perovskite crystallization-directing,delivering reduced interface defects,suppressed non-radiative recombination and elongated charge carrier *** conversion efficiency(PCE)of 23.02%(0.04 cm^(2))and 21.6%(0.98 cm^(2),V_(OC) loss:0.336 V)have been achieved for the blade-coated PSCs(1.54 eV E_(g))with our new ETLs,representing a record for SnO_(2) based blade-coated ***,a substantially enhanced PCE(V_(OC))from 20.4%(1.15 V)to 22.8%(1.24 V,90 mV higher V_(OC),0.04 cm^(2) device)in the blade-coated 1.61 eV PSCs system,via replacing the benchmark commercial colloidal SnO_(2) with our new ETLs.

关键词： perovskite interface quantum

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Facile Li-Ion Transport via LLTO Scaffold with Crosslinked Polyethylene Glycol Composite Electrolyte for Solid-State Batteries

SSRN

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SSRN 2025年

作者： Lee, Jungkuk Counihan, Michael J. Barai, Pallab Burns, Meghan E. Singh, Vibhu V. Jamnuch, Sasawat Pascal, Tod A. Shrinivasan, Venkat Tepavcevic, Sanja Zhang, Yuepeng Applied Materials Division Argonne National Laboratory LemontIL60439 United States Materials Science Division Argonne National Laboratory LemontIL60439 United States Department of Chemistry University of Illinois Chicago ChicagoIL60607 United States ATLAS Materials Physics Lab Aiiso Yufeng Li Family Department of Chemical and Nano Engineering University of California San Diego La Jolla CA92093 United States Microscopy and Microanalysis Research Group Materials Measurement Science Division National Institute of Standards and Technology GaithersburgMD20899 United States Material Science and Engineering Program University of California San Diego La Jolla CA92093 United States Chemical Sciences and Engineering Division Argonne National Laboratory LemontIL60439 United States

Composite polymer electrolytes (CPEs) hold significant promise for solid-state batteries due to their ability to combine the benefits of inorganic fillers and polymer matrices. However, agglomeration of inorganic fillers can disrupt the formation of a percolation pathway, hindering lithium-ion transport. Here, we developed a stable, porous, and interconnected 3-dimentional LLTO (Li0.33La0.557TiO3) nanofiber scaffold and fabricate CPEs using in-situ crosslinked polyethylene glycol (xPEG). The resulting self-standing LLTOxPEG-65 achieved an ionic conductivity of 5.0 × 10−4 S/cm at 30 °C and a critical current density of 0.5 mA/cm2. A significantly lower activation energy (~0.2 eV) was observed in LLTOxPEG-65 compared to pristine xPEG (0.44 eV), indicating a transition of lithium-ion transport pathways from xPEG to the LLTO scaffold. However, increasing the xPEG content led to a decrease in ionic conductivity and a rise in activation energy, approaching that of pristine xPEG. DFT calculations revealed that Li+ transport in the [010] and [001] planes of LLTO predominantly takes place within the bulk rather than along the surface, while a concerted diffusion mechanism was observed in the [100] plane. Additionally, mesoscale-level computational analysis indicated that the high LLTO scaffold fraction (90 wt %) can ensure transport through the bulk of the fibers even with larger interfacial charge transfer resistance, around 1 Ω·cm2 between LLTO and xPEG. Presence of the highly percolated LLTO scaffold helps to promote efficient Li+ transport through the bulk of LLTO. © 2025, The Authors. All rights reserved.

关键词： Activation energy

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Single-Molecule Vibrational Characterization of Binding Geometry Effects on Isocyanide-Metal Interactions

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Nano letters 2025年第22期25卷 2025 May 26页

作者： Liya Bi Zhe Wang Krista P Balto Andrea R Tao Tod A Pascal Yanning Zhang Joshua S Figueroa Shaowei Li Department of Chemistry and Biochemistry University of California San Diego La Jolla California 92093-0309 United States. Program in Materials Science and Engineering University of California San Diego La Jolla California 92093-0418 United States. Department of Physics and Astronomy University of California Irvine California 92697-4575 United States. Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of China Chengdu 611731 China. Aiiso Yufeng Li Family Department of Chemical and Nano Engineering University of California San Diego La Jolla California 92093-0448 United States.

Isocyanide-metal binding is governed by σ-donation and π-back-bonding, which affects the isocyanide stretching energy, a characteristic probe for ligand-metal interactions. While extensive correlations exist between structure and spectroscopy in molecular isocyanide-metal systems, interactions of isocyanide with crystalline metallic surfaces, where ligands often bind in various geometries, remain underexplored. Conventional vibrational spectroscopies such as infrared and Raman spectroscopies lack the molecular-scale resolution to distinguish this binding inhomogeneity. In contrast, inelastic electron tunneling spectroscopy with scanning tunneling microscopy (STM-IETS) directly visualizes ligand adsorption geometries and their vibrational signatures. Using STM-IETS, we investigate a metal-adsorbed -terphenyl isocyanide ligand and find that the adsorption geometry on Cu(100) induces a significant shift in isocyanide stretching frequency, more prominent than replacing Cu(100) with Ag(111). Density functional theory confirms that this shift arises from atomic-scale variations in coordination environments. This study elucidates how precise binding influences the vibrational fingerprints of isocyanide ligands, an often-overlooked factor in understanding the isocyanide-metal interplay.

关键词： inelastic electron tunneling spectroscopy m-terphenyl isocyanide ligand metal−isocyanide interaction scanning tunneling microscopy σ−π donations

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The effect of calcium and barium fluoride on CeF3 doped in gadolinium phosphate scintillating glass

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ceramics International 2025年

作者： Sarumaha, C.S. Kantuptim, P. Yanagida, T. Intachai, N. Kothan, S. Kim, H.J. Busayaporn, W. Pakawanit, P. Phoovasawat, C. Kaewnuam, E. Kaewkhao, J. Faculty of Science and Technology Muban Chombueng Rajabhat University Ratchaburi 70150 Thailand Nakhon Pathom Rajabhat University Nakhon Pathom73000 Thailand Department of Materials Engineering Faculty of Engineering Kasetsart University Bangkok10900 Thailand Division of Materials Science of Science and Technology Nara Institute of Science and Technology 8916-5 Takayama Ikoma Nara630-0192 Japan Center of Radiation Research and Medical Imaging Department of Radiologic Technology Faculty of Associated Medical Sciences Chiang Mai University Chiang Mai50200 Thailand Department of Physics Kyungpook National University Daegu41566 Korea Republic of Synchrotron Research and Applications Division Synchrotron Light Research Institute 111 University Avenue Muang District Nakhon Ratchasima30000 Thailand Physics Program Faculty of Science and Technology Nakhon Pathom Rajabhat University Nakhon Pathom73000 Thailand

This study concerns alkaline fluorides such as CaF2 and BaF2 contained in gadolinium phosphate glass doped with CeF3, which were synthesized using a melt-quenching technique. Ce3+ was activated in both glasses and a comparative study of their optical, luminescence and scintillation behaviors was conducted. The results found that the higher atomic weight of BaF2 glass makes higher density compared with CaF2 glass, resulting in more integral scintillation efficiency. The quantum yield of BaF2-glass (PLZGdBafCe0.5) is also higher than that of CaF2-glass (PLZGdCafCe0.5). Energy transfer efficiency from Gd3+ to Ce3+ shows similar values, reflecting that the higher photoluminescence intensity of BaF2-glass comes from the efficiency of the luminescence center (Ce3+ ion). Photoluminescence and scintillation decay times were measured and found to be in the range of nanoseconds. XANES measurement was used to confirm the oxidation state and ratio between Ce3+/Ce4+. Moreover, the practical application of the glass scintillator was succeeded by micro-imaging using synchrotron X-ray. © 2025 Elsevier Ltd and Techna Group S.r.l.

关键词： Photoluminescence

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Correction to: Environmental consequences of interacting effects of changes in stratospheric ozone, ultraviolet radiation, and climate: UNEP Environmental Effects Assessment Panel, Update 2024 (Photochemical & Photobiological sciences, (2025), 24, 3, (357-392), 10.1007/s43630-025-00687-x)

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Photochemical and Photobiological sciences 2025年第5期24卷 863-865页

作者： Neale, Patrick J. Hylander, Samuel Banaszak, Anastazia T. Häder, Donat-P. Rose, Kevin C. Vione, Davide Wängberg, Sten-Åke Jansen, Marcel A. K. Busquets, Rosa Andersen, Mads P. Sulbæk Madronich, Sasha Hanson, Mark L. Schikowski, Tamara Solomon, Keith R. Sulzberger, Barbara Wallington, Timothy J. Heikkilä, Anu M. Pandey, Krishna K. Andrady, Anthony L. Bruckman, Laura S. White, Christopher C. Zhu, Liping Bernhard, Germar H. Bais, Alkiviadis Aucamp, Pieter J. Chiodo, Gabriel Cordero, Raúl R. Petropavlovskikh, Irina Neale, Rachel E. Olsen, Catherine M. Hales, Simon Lal, Aparna Lingham, Gareth Rhodes, Lesley E. Young, Antony R. Robson, T. Matthew Robinson, Sharon A. Barnes, Paul W. Bornman, Janet F. Harper, Anna B. Lee, Hanna Calderón, Roy Mackenzie Ossola, Rachele Paul, Nigel D. Revell, Laura E. Wang, Qing-Wei Zepp, Richard G. Environmental Research Center Smithsonian Institution EdgewaterMD United States Centre for Ecology and Evolution in Microbial Model Systems Linnaeus University Kalmar Sweden Unidad Académica de Sistemas Arrecifales Universidad Nacional Autónoma de México Puerto Morelos Mexico Erlangen Germany Department of Biological Sciences and Department of Civil and Environmental Engineering Rensselaer Polytechnic Institute TroyNY United States Department of Chemistry University of Turin Turin Italy Department of Marine Sciences University of Gothenburg Gotheburg Sweden School of Biological Earth and Environmental Sciences Environmental Research Institute University College Cork Cork Ireland Chemical and Pharmaceutical Sciences Kingston University London Kingston Upon Thames United Kingdom Civil Environmental & Geomatic Engineering University College London London United Kingdom Department of Chemistry and Biochemistry California State University NorthridgeCA United States Atmospheric Chemistry Observations and Modeling National Center for Atmospheric Research BoulderCO United States USDA UV-B Monitoring and Research Program Colorado State University Fort. CollinsCO United States Department of Environment and Geography University of Manitoba WinnipegMB Canada Working Group Environmental Epidemiology IUF-Leibniz Research Institute for Environmental Medicine Düsseldorf Germany Department of Environment and Health School of Public Health University of Bielefeld Bielefeld Germany School of Environmental Sciences University of Guelph GuelphON Canada Retired From Eawag Swiss Federal Institute of Aquatic Science and Technology Dübendorf Switzerland Center for Sustainable Systems School for Environment and Sustainability University of Michigan Ann ArborMI United States Climate Research Finnish Meteorological Institute Helsinki Finland Indian Academy of Wood Science Bengaluru India Chemical and Biomolecular Engineering North Carolina State University RaleighN

This work is not a product of the U.S. Government or the U.S. Environmental Protection Agency, and the author is not doing this work in any governmental capacity. This research was not performed or funded by EPA and was not subject to EPA’s quality system requirements. The views expressed in this journal article are those of the author(s) and do not necessarily represent the views or the policies of the U.S. Environmental Protection Agency. The original article has been corrected. © The Author(s), under exclusive licence to the European Photochemistry Association, European Society for Photobiology 2025.

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