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arXiv 2020年

作者： Lou, Paul C. Katailiha, Anand Bhardwaj, Ravindra G. Bhowmick, Tonmoy Beyermann, W.P. Lake, Roger K. Kumar, Sandeep Department of Mechanical Engineering University of California RiversideCA92521 United States Department of Electrical Engineering and Computer Science University of California RiversideCA92521 United States Department of Physics and Astronomy University of California RiversideCA92521 United States Materials Science and Engineering Program University of California RiversideCA92521 United States

Silicon’s weak intrinsic spin-orbit coupling and centrosymmetric crystal structure are a critical bottleneck to the development of Si spintronics, because they lead to an insignificant spin-Hall effect (spin current generation) and inverse spin-Hall effect (spin current detection). Here, we undertake current, magnetic field, crystallography dependent magnetoresistance and magneto-thermal transport measurements to study the spin transport behavior in freestanding Si thin films. We observe a large spin-Hall magnetoresistance in both p-Si and n-Si at room temperature and it is an order of magnitude larger than that of Pt. One explanation of the unexpectedly large and efficient spin-Hall effect is spin-phonon coupling instead of spin-orbit coupling. The macroscopic origin of the spin-phonon coupling can be large strain gradients that can exist in the freestanding Si films. This discovery in a light, earth abundant and centrosymmetric material opens a new path of strain engineering to achieve spin dependent properties in technologically highly-developed materials. Copyright © 2020, The Authors. All rights reserved.

关键词： Phonons

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Mechanistic fusion of homolytic H 2 O 2 scission and radical inter-conversion to sustain supported phosphate radicals for aqueous toxicant degradation

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Chemical engineering Journal 2025年 519卷

作者： Junseo Kim Minsung Kim Bo Young Woo Sangmoon Byun Gina Bang Kyeong Min Cho Heesoo Jung Keunhong Jeong Jongsik Kim Department of Chemical Engineering (Integrated Engineering Program) Kyung Hee University Yongin 17104 South Korea Extreme Materials Research Center Korea Institute of Science and Technology Seoul 02792 South Korea 3rd R&D Institute 5th Directorate Agency for Defense Development Daejeon 34186 South Korea Department of Physics and Chemistry Korea Military Academy Seoul 01805 South Korea KHU-KIST Department of Converging Science and Technology Kyung Hee University Seoul 02447 South Korea

ZrO 2 bears Lewis acidic Zr 4+ (LA) and Brönsted acidic -OH (BA - -H + ) available to interact with O and H of H 2 O 2 , respectively. This activates sustainable, Zr 4+ leaching-free H 2 O 2 homolysis to impart two • OH, whose desorption from LA/BA - -H + is the rate-determining step and is more vigorous with higher LA/BA - -H + strengths (E LA /E BA--H+ ). Given ZrO 2 's high oxophilicity, E LA is challenging to modulate, whereas E BA--H+ remains tunable. To combine the merits of ZrO 2 stated above and those of H 3-A PO 4 (A-1)•- (A=1-3) emerging, we functionalized ZrO 2 with H 3-A PO 4 A- to yield H 3-A PO 4 A- SUP supported on ZrO 2 (ZrO 2 -P). P + -O - /P + -O - -H + in H 3-A PO 4 A- SUP withdrew electrons (e - ) away from vicinal LA/BA - -H + , leading to make E LA /E BA--H+ of ZrO 2 -P higher than those of ZrO 2 . Moreover, P + -O - underwent • OH-assisted transformation into P + -O • via radical inter-transition, whose rate-determining step is • OH desorption. Furthermore, P + -O - -H + acted as additional BA - -H + utilized to activate H 2 O 2 homolysis. ZrO 2 -P with multi-functional H 3-A PO 4 A- SUP moieties was superior to ZrO 2 in lowering the energy barrier required for • OH desorption, thus achieving higher • OH/H 3-A PO 4 (A-1)•- SUP productivities under H 2 O 2 -containing aqueous phases. ZrO 2 -P and ZrO 2 deployed H 3-A PO 4 (A-1)•- SUP and • OH, respectively, as the primary toxicant disintegrators. Consequently, ZrO 2 -P outperformed ZrO 2 to efficiently or sustainably fragment analgesic, pesticide, antibiotic, or chemical warfare agent (paraoxon-methyl/VX), either of which contains e - -donating groups labile to destabilization via H 3-A PO 4 (A-1)•- SUP -enabled e - transfer rather than via • OH-enabled addition/H • abstraction. Moreover, paraoxon-methyl fragmentation was more effective with H 3-A PO 4 (A-1)•- SUP on ZrO 2 -P than with H 3-A PO 4 (A-1)•- SUP on Fe 2 O 3 -P or with NO 3 • SUP on ZrO 2 -N.

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Tunable Second-Order Structural Transition in As-Deficient MnAs

arXiv

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arXiv 2024年

作者： White, B.D. Huang, K. Fipps, I.L. Hamlin, J.J. Jang, S. Smith, G.J. Xia, B. Simonson, J.W. Nelson, C.S. Aronson, M.C. Maple, M.B. Department of Physics Central Washington University 400 East University Way EllensburgWA98926-7442 United States Department of Physics University of California La Jolla San DiegoCA92093 United States Center for Advanced Nanoscience University of California La Jolla San DiegoCA92093 United States Materials Science and Engineering Program University of California La Jolla San DiegoCA92093 United States Department of Physics and Astronomy Stony Brook University Stony BrookNY11794-3800 United States Department of Physics Farmingdale State College FarmingdaleNY11735-1021 United States National Synchrotron Light Source II Brookhaven National Laboratory UptonNY11973 United States Condensed Matter Physics and Materials Science Department Brookhaven National Laboratory UptonNY11973-5000 United States Stewart Blusson Quantum Matter Institute University of British Columbia 2355 East Mall VancouverBCV6T 1Z4 Canada Department of Physics and Astronomy University of British Columbia 6224 Agricultural Road VancouverBCV6T 1Z1 Canada

We report measurements of magnetization, specific heat, and thermal expansion performed on As-deficient MnAs single crystals (MnAs0.968). Ferromagnetic order is observed near TC 306 K on warming and TC 302 K on cooling, which is consistent with previously-reported values for stoichiometric MnAs samples. In contrast, the second-order structural phase transition is observed at TS 353 K, which is nearly 50 K lower than in the stoichiometric compound. We observe differences in the thermal expansion of our samples when compared to reports of stoichiometric MnAs including: (1) the ∼1.5% volume decrease at TC is smaller than the expected value of 1.9%, (2) the lattice parameters perpendicular to the basal plane exhibit a discontinuous jump of ∼1.1% at TC instead of being continuous across TC, and (3) thermal expansion perpendicular to the basal plane for TC ≤ T ≤ 315 K is negative rather than positive. We also observe a correlation between the ratio of hexagonal lattice parameters, c/a, and TS, strongly suggesting that the degree of structural anisotropy in MnAs could play an important role in tuning TS © 2024, CC BY.

关键词： Thermal expansion

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Ultrafast optical switching to a heterochiral charge-density wave state

arXiv

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arXiv 2024年

作者： Huang, Wayne Cheng-Wei Mu, Sai von Witte, Gevin Li, Yanshuo Sophie Kurtz, Felix Hung, Sheng-Hsiung Jeng, Horng-Tay Rossnagel, Kai Horstmann, Jan Gerrit Ropers, Claus Department of Ultrafast Dynamics Max Planck Institute for Multidisciplinary Sciences Göttingen37077 Germany IV. Physical Institute–Solids and Nanostructures University of Göttingen Göttingen37077 Germany Institute of Physics Academia Sinica Taipei115201 Taiwan Center for Experimental Nanoscale Physics Department of Physics and Astronomy University of South Carolina ColumbiaSC29208 United States Institute for Biomedical Engineering University and ETH Zurich Zurich8092 Switzerland Institute of Molecular Physical Science ETH Zurich Zurich8093 Switzerland Department of Physics National Tsing Hua University Hsinchu30013 Taiwan Physics Division National Center for Theoretical Sciences Taipei10617 Taiwan Institute of Experimental and Applied Physics Kiel University Kiel24098 Germany Ruprecht Haensel Laboratory Deutsches Elektronen-Synchrotron DESY Hamburg22607 Germany Department of Materials ETH Zurich Zurich8093 Switzerland

Optical control of correlated electronic states promises unprecedented tunability of novel functional materials [1–3]. Tailored optical excitations can steer a system along non-equilibrium pathways to metastable states with specific structural or electronic properties [4–6]. A much-desired feature is the reproducible and ultrafast switching to functional states. The light-induced hidden state of 1T-TaS2, with its strongly enhanced conductivity and exceptionally long lifetime, represents a unique model system for studying the switching of correlated electronic states using femtosecond optical stimuli [4, 7]. However, despite intense investigation, the switching mechanism and the structural origins of the distinctive electronic properties of the hidden state have not been fully uncovered. Here, we use surface-sensitive electron diffraction in combination with a femtosecond optical quench to reveal coexistent charge-density wave chiralities as a new structural feature of the hidden state. We find that a single-pulse optical quench produces a state with long-range structural order and different weights of the two chiral enantiomorphs of the charge-density wave. Harnessing a double-pulse optical quench [5, 7–9], we trace the origin of the mixed chirality to the transient electronic excitation of the host crystal. The coexistent long-range-order of both chiralities suggests the presence of extended heterochiral charge-density wave interfaces, which results in a higher-level, fractal-type moiré superstructure. Density functional theory simulations for such a charge-density wave moiré superstructure reveal multiple flat bands, Dirac cones, and a kagome electronic subsystem around the Fermi energy. Our findings shed light on novel electronic properties gained by chiral interface engineering, and create avenues for light-induced moiré superstructures in quasi-two-dimensional materials. Copyright © 2024, The Authors. All rights reserved.

关键词： Electronic properties

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Identification of novel organic polar materials: A machine learning study with importance sampling

APL Machine Learning

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APL Machine Learning 2023年第4期1卷

作者： Ayana Ghosh Dennis P. Trujillo Subhashis Hazarika Elizabeth Schiesser M. J. Swamynathan Saurabh Ghosh Jian-Xin Zhu Serge Nakhmanson Computational Sciences and Engineering Division Oak Ridge National Laboratory Oak Ridge Tennessee 37831 USA Department of Materials Science and Engineering and Institute of Materials Science University of Connecticut Storrs Connecticut 06269 USA Palo Alto Research Center Palo Alto California 94304 USA Department of Biomedical Engineering University of Connecticut Storrs Connecticut 06269 USA Department of Physics and Nanotechnology Faculty of Engineering and Technology SRM Institute of Science and Technology Chennai Tamil Nadu 603203 India Theoretical Division Los Alamos National Laboratory Los Alamos New Mexico 87545 USA Center for Integrated Nanotechnologies Los Alamos National Laboratory Los Alamos New Mexico 87545 USA Department of Physics University of Connecticut Storrs Connecticut 06269 USA

Recent advances in the synthesis of polar molecular materials have produced practical alternatives to ferroelectric ceramics, opening up exciting new avenues for their incorporation into modern electronic devices. However, in order to realize the full potential of polar polymer and molecular crystals for modern technological applications, it is paramount to assemble and evaluate all the available data for such compounds, identifying descriptors that could be associated with an emergence of ferroelectricity. In this paper, we utilized data-driven approaches to judiciously shortlist candidate materials from a wide chemical space that could possess ferroelectric functionalities. A machine learning study with importance sampling was employed to address the challenge of having a limited amount of available data on already-known organic ferroelectrics. Sets of molecular- and crystal-level descriptors were combined with a Random Forest Regression algorithm in order to predict the spontaneous polarization of the shortlisted compounds. First-principles simulations were performed to further validate the predictions obtained from the machine learning model.

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Ion Current Rectification Activity Induced by Boron Hydride Nanosheets to Enhance Magnesium Analgesia

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Angewandte Chemie 2024年第34期136卷

作者： Yanyan Liu Qi Qi Yaqin Jiang Peiran Zhao Lijie Chen Xiaqing Ma Yuhan Shi Jianxun Xu Jinjin Li Feixiang Chen Jian Chen Le Zhang Yelin Wu Xingwu Jiang Prof. Dayong Jin Tao Xu Prof. Wenbo Bu Department of Materials Science and State Key Laboratory of Molecular Engineering of Polymers Academy for Engineering and Technology Fudan University Shanghai 200433 China Department of Anesthesiology Shanghai Sixth Peoples Hospital Affiliated to Shanghai Jiao tong University Shanghai 200233 China Shanghai Key Laboratory of Green Chemistry and Chemical Processes School of Chemistry and Molecular Engineering East China Normal University Shanghai 200062 China Baylor College of medicine Houston TX 77030 USA Institute for Biomedical Materials and Devices (IBMD) Faculty of Science University of Technology Sydney Sydney New South Wales 2007 Australia Department of Medical Ultrasound Shanghai Tenth people's hospital Tongji University School of Medicine Shanghai 200072 China

The limited analgesic efficiency of magnesium restricts its application in pain management. Here, we report boron hydride (BH) with ion currents rectification activity that can enhance the analgesic efficiency of magnesium without the risks of drug tolerance or addiction. We synthesize MgB 2 , comprising hexagonal boron sheets alternating with Mg 2+ . In pathological environment, Mg 2+ is exchanged by H + , forming two-dimensional borophene-analogue BH sheets. BH interacts with the charged cations via cation-pi interaction, leading to dynamic modulation of sodium and potassium ion currents around neurons. Additionally, released Mg 2+ competes Ca 2+ to inhibit its influx and neuronal excitation. In vitro cultured dorsal root neurons show a remarkable increase in threshold potential from the normal −35.9 mV to −5.9 mV after the addition of MgB 2 , indicating potent analgesic effect. In three typical pain models, including CFA-induced inflammatory pain, CINP- or CCI-induced neuropathic pain, MgB 2 exhibits analgesic efficiency approximately 2.23, 3.20, and 2.0 times higher than clinical MgSO 4 , respectively, and even about 1.04, 1.66, and 1.95 times higher than morphine, respectively. The development of magnesium based intermetallic compounds holds promise in addressing the non-opioid medical need for pain relief.

关键词： MgB2 2D BH nanosheets analgesia ion current rectification pi-cation interaction

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Electronic structures of NANOMET-based nanocrystalline soft magnetic Alloys: Magnetic properties

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Physica B: Condensed Matter 2025年 714卷

作者： Jihye Park Minyeong Choi Hyunkyung Lee Haein Choi-Yim Yang-Ki Hong Seong-Gon Kim C. Heath Turner Department of Applied Physics Sookmyung Women's University Seoul 04310 South Korea Hyundai Motor Company 150 HyundaiYeonguso-ro Namyang-eup Hwaseong-si Gyeonggi-do 18280 South Korea Department of Electrical and Computer Engineering and Materials Science Ph.D. Program The University of Alabama Tuscaloosa AL 35487 USA Department of Physics and Astronomy Mississippi State University Mississippi State MS 39762 USA Department of Chemical and Biological Engineering The University of Alabama Tuscaloosa AL 35487 USA

We developed new nanocrystalline Fe-Co-B-P-Cu soft magnetic alloys and studied their magnetic properties by calculating electronic structures using first-principles calculations based on density functional theory within the local spin density approximation and the Brillouin function. The supercell Fe-B-P-Cu was equilibrated at 3000 K for 12 ps using ab initio molecular dynamics (AIMD). Consequently, Fe, B, P, and Cu atoms are distributed randomly in an amorphous matrix formed by cooling it to 0 K. The ferromagnetic bcc α -(Fe 50 Co 50 ) crystallites were formed in the amorphous matrix by annealing the mixture at 300 K and cooling to 0 K. This resulted in the formation of nanocrystalline (Fe, Co)-B-P-Cu soft magnetic alloys. The ferromagnetic bcc α -Fe(Co) crystallites, embedded in an amorphous matrix, were confirmed experimentally for the first time. The experiment involved quickly cooling and heating a melted mixture of Fe, Co, B, Fe 3 P, and Cu to create both amorphous ribbons and crystallites. The Fe-Co-B-P-Cu alloy designed for the experiment has a saturation magnetization ( μ 0 M S ) of over 1.9 T (T) at 0 K and ranging from 1.87 to 1.92 T at 300 K. The magnetocrystalline anisotropy constant (K) decreased significantly to 142 J/m 3 from 5.2 × 104 J/m 3 with an increase in the number of embedded crystallites from one to five, indicating that the alloy became magnetically soft. At 300 K, the experimental μ 0 M S ranged from 1.79 to 1.89 T. Additionally, as the concentration of Co increased, the Curie temperature (T C ) also increased and reached about 800 °C at 3.5 at.%. The study revealed that the average grain size of the synthesized Fe-Co-B-P-Cu alloys was 29 nm. The experimental μ 0 M S was slightly lower than the calculated value for all designed Fe-Co-B-P-Cu alloys, indicating that the recrystallization process was not entirely controlled. The experimental results confirmed that the designed alloy system has achieved the target saturation magnetization of o

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Review—Challenges in Lab-to-Clinic Translation of 5^th/6^th Generation Intelligent Nanomaterial-enabled Biosensors

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ECS Sensors Plus 2024年第4期3卷 041602-041602页

作者： Talreja, Rishi Kumar Sable, Harsh Chaudhary, Vikash Kadian, Sachin Singh, Mamta Kumar, Manish Kishore, Jugal Chaudhary, Vishal Khosla, Ajit Vardhman Mahavir Medical College Safdarjung Hospital New Delhi Delhi 110029 India Department of Forensic Science SSAHS Sharda University U.P. Greater Noida India Department of Computer Science Bhagini Nivedita College University of Delhi New Delhi 110043 India Joint Department of Biomedical Engineering University of North Carolina at Chapel Hill North Carolina State University Raleigh United States Department of Physics Shivaji College University of Delhi New Delhi 110027 India Experimental Research Laboratory Department of Physics ARSD College University of Delhi New Delhi 110021 India University Centre for Research and Development Chandigarh University Punjab Mohali 140413 India Centre for Research Impact & Outcome Chitkara University Punjab 140401 India Physics Department Bhagini Nivedita College University of Delhi New Delhi 110043 India School of Advanced Materials and Nanotechnology Xidian University Xi’an 710126 China

Conventional diagnostic platforms often lack point-of-care, simple, economical, prompt and personalized detection features, whereas nanomaterial-supported intelligent biosensors belonging to the 5th/6th generation are vital vectors in medical diagnostics. The tunable and enhanced physicochemical properties of nanomaterials such as surface area, surface chemistry, band gap, and flexibility, nano-biosensors exhibit high sensitivity, specificity, and prompt and accurate detection. Despite substantial research and an exponentially growing market, projected to reach $46.4 billion by 2028, biosensors face considerable challenges in clinical implementation. This article underlines the manifold translational challenges, such as regulatory barriers, safety and toxicity concerns related to nanomaterials, technical and manufacturing issues, hesitancy in adopting new tools, and economic constraints. Besides discussing the perspectives of material scientists, medical doctors, data scientists, and public health professionals, this article presents a comprehensive overview of the current state and prospects of integrating next-generation nanomaterial-based artificial intelligence-supported biosensors into clinical practice. It emphasizes the need to address these barriers, which can enhance early disease detection, improve patient outcomes, and reduce the overall burden on healthcare systems. Their applications can be extended to one health management team with dedicated collaborations to achieve sustainable development goals. © 2024 The Author(s). Published on behalf of The Electrochemical Society by IOP Publishing Limited.

关键词： artificial intelligence biosensors diagnosis nanomaterials sustainability

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Camouflaged Virus-Like-Nanocarrier with a Transformable Rough Surface for Boosting Drug Delivery

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Angewandte Chemie 2023年第14期135卷

作者： Hongyue Yu Yan Yu Runfeng Lin Minchao Liu Qiaoyu Zhou Mengli Liu Liang Chen Wenxing Wang Prof. Ahmed A. Elzatahry Prof. Dongyuan Zhao Prof. Xiaomin Li Department of Chemistry State Key Laboratory of Molecular Engineering of Polymers iChem Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials Fudan University Shanghai 200433 China Materials Science and Technology Program College of Arts and Sciences Qatar University P.O. Box 2713 Doha Qatar

Due to non-specific strong nano–bio interactions, it is difficult for nanocarriers with permanent rough surface to cross multiple biological barriers to realize efficient drug delivery. Herein, a camouflaged virus-like-nanocarrier with a transformable rough surface is reported, which is composed by an interior virus-like mesoporous SiO 2 nanoparticle with a rough surface (vSiO 2 ) and an exterior acid-responsive polymer. Under normal physiological pH condition, the spikes on vSiO 2 are hidden by the polymer shell, and the non-specific strong nano–bio interactions are effectively inhibited. While in the acidic tumor microenvironment, the nanocarrier sheds the polymer camouflage to re-expose its rough surface. So, the retention ability and endocytosis efficiency of the nanocarrier are great improved. Owing to it's the dynamically variable rough surface, the rationally designed nanocarrier exhibits extended blood-circulation-time and enhanced tumor accumulation.

关键词： Antitumor Agents Drug Delivery Nanomedicines pH-Response

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engineering an in vitro model of ductal carcinoma in situ using fresh 3d bioprinting 42

Engineering an in vitro model of ductal carcinoma in situ us...

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42nd Society for Biomaterials Annual Meeting and Exposition 2019: The Pinnacle of Biomaterials Innovation and Excellence

作者： Tashman, Joshua Hinton, T.J. Brown, Daniel Shiwarski, Daniel Lee, Andrew Hudson, Andrew Lee, Adrian Feinberg, Adam Department of Biomedical Engineering Carnegie Mellon University PittsburghPA United States Magee Women's Research Institute University of Pittsburgh PittsburghPA United States Department of Materials Science and Engineering Carnegie Mellon University PittsburghPA United States

ISBN: (纸本)9781510883901

Statement of Purpose: Ductal carcinoma in situ (DCIS) is an abnormal proliferation of premalignant luminal epithelial cells into the breast duct. Only 10-20% of DCIS cases progress from premalignant to malignant;however, there is no clinical tool to predict this transformation on a patientspecific basis (1). Because there are no animal models of pre- invasive DCIS, an in vitro model of DCIS utilizing patient cells and recapitulating in vivo progression to malignancy would significantly decrease morbidity and cost associated with prophylactic surgeries. Such a physiologically relevant model to evaluate malignant transformation has been difficult to create via conventional tissue engineering *** we used Freeform Reversible Embedding of Suspended Hydrogels (FRESH) to 3D bioprinting complicated ductal structures from biological hydrogels (e.g. collagen type I,alginate). We successfully printed full scale, anatomically accurate breast ductal trees as well as subcomponents of the tree to investigate cellular infiltration and remodeling of our collagen type I breast duct constructs. © 2019 Omnipress - All rights reserved.

关键词： Hydrogels

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