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High-temperature superconductivity of Pm3¯n Lu4H23 immersed in an as-synthesized lutetium polyhydride

Physical Review B 2024年第22期109卷 224511-224511页

作者： Xiaoming Zhang Zheng Liu Feng Liu College of Physics and Optoelectronic Engineering Institute for Advanced Study Department of Materials Science and Engineering

The precompression effect of foreign elements affords a promising route to metallizing hydrogen atoms under moderate pressure and achieving superconductivity with high transition temperature (TC) in polyhydrides. Recently, lutetium (Lu) polyhydrides are receiving considerable attention due to their fully filled f orbitals, which are favorable for realizing high TC. The highest TC observed in the as-synthesized lutetium polyhydrides up to now has reached 65–71 K under pressures of 181–218 GPa, which was attributed to the Pm3¯n Lu4H23 phase but without computational analysis. Here we perform first-principles calculations on the bonding feature, the stability, the electronic property, and the superconductivity of Lu4H23. Lu4H23 presents robust metallicity due to the orbital hybridizations associated with the H-H covalent and Lu-H ionic bonds, as well as the charge transfer from Lu to H atoms. Our calculations reveal that Lu4H23 can be stabilized at pressures above ∼200 GPa, whose TC is estimated to be 69–225 (103–210) K at 200 (218) GPa and maintains at the average values around 150–200 K under the pressures exceeding 250 GPa. We propose that the Fm3¯m LuH plays a possible role in stabilizing Lu4H23 at pressures lower than 200 GPa, and, simultaneously, decreases the TC of superconductivity in the as-synthesized lutetium polyhydrides. Our work provides a computational analysis on Lu4H23, and the predicted high TC is expected to be experimentally realized by increasing pressure and optimizing synthesis process to eliminate the LuH phase.

关键词： High-pressure studies Pressure effects Superconducting phase transition Superconductivity Crystal structures High-temperature superconductors Hydrides Density functional theory First-principles calculations

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Unconventional spin-orbit torques from sputtered MoTe2 films

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Physical Review B 2024年第2期110卷 024426-024426页

作者： Shuchen Li Jonathan Gibbons Stasiu Chyczewski Zetai Liu Hsu-Chih Ni Jiangchao Qian Jian-Min Zuo Jun-Fei Zheng Wenjuan Zhu Axel Hoffmann Department of Materials Science and Engineering and Materials Research Laboratory Department of Physics Department of Electrical and Computer Engineering Danbury Connecticut 06810 USA

materials with strong spin-orbit coupling and low crystalline symmetry are promising for generating large unconventional spin-orbit torques (SOTs), such as in-plane fieldlike (FL) torques and out-of-plane dampinglike (DL) torques, which can effectively manipulate and deterministically switch an out-of-plane magnetization without the need for additional external in-plane magnetic fields. Here, we report SOTs generated by magnetron-sputtered 1T′MoTe2/Permalloy (Py; Ni80Fe20)/MgO heterostructures using both spin-torque ferromagnetic resonance (ST-FMR) and second harmonic Hall measurements. We observed unconventional FL and DL torques in our samples due to spins polarized normal to the interface of MoTe2 and Py layers, and studied the influence of crystallographic order and MoTe2 layer thickness on the SOTs. By comparing the Raman spectra of 1T′MoTe2 samples prepared in different ways, we found a tensile strain in sputtered MoTe2 films, which might further enhance the generation of unconventional torques by reducing the symmetry of 1T′MoTe2.

关键词： Spin injection Spin-orbit torque Spintronics Ferromagnetic resonance Raman spectroscopy

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Development of Low-cost and Robust IoT Field Station for Coffee Plantation 15

Development of Low-cost and Robust IoT Field Station for Cof...

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15th International Conference on Knowledge and Smart Technology, KST 2023

作者： Siyang, Satetha Kerdcharoen, Teerakiat Mahidol University Faculty of Science Materials Science and Engineering Program Bangkok10400 Thailand Mahidol University National Nanotechnology Center Faculty of Science and Research Network of NANOTEC Department of Physics Bangkok Thailand

ISBN: (纸本)9781665477123

Thailand has a growing demand in coffee consumption every year. Currently, the nation's capacity for producing coffee is limited, necessitating a significant amount of imports from overseas. The Arabica coffee in the north of Thailand, where the scent and taste of coffee have a distinct identity based on varied cultivation locations, has reasonably good quality. Because of the impact of the environment, it is still challenging to maintain the quality of coffee beans from season to season. Moreover, fierce competition with nearby nations like Laos and Vietnam leads to lower prices of coffee beans. This forces Thai farmers and entrepreneurs to embrace more advanced technologies in order to comprehend the environment of each plantation region and boost their level of competition. This project aims to develop a trustworthy and cost-effective IoT field monitoring solution to assist farmers in understanding the climate conditions in various plantation areas. In order to examine the relationship between the environments, the data collected by the devices can be transferred back to the public cloud server. Then, it can be used as knowledge to raise Thai coffee beans' quality to a premium level so they can continue to compete with coffee beans from other countries. © 2023 IEEE.

关键词： Cultivation

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engineering single atomic ruthenium on defective nickel vanadium layered double hydroxide for highly efficient hydrogen evolution

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Nano Research 2023年第4期16卷 4612-4619页

作者： Xiaoyu Chen Jiawei Wan Meng Zheng Jin Wang Qinghua Zhang Lin Gu Lirong Zheng Xianzhu Fu Ranbo Yu College of Materials Science and Engineering Shenzhen UniversityShenzhen 518071China College of Physics and Optoelectronic Engineering Shenzhen UniversityShenzhen 518060China Department of Physical Chemistry School of Metallurgical and Ecological EngineeringUniversity of Science and Technology Beijing InstitutionBeijing 100083China State Key Laboratory of Biochemical Engineering Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China Beijing National Laboratory for Condensed Matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100190China Beijing National Center for Electron Microscopy and Laboratory of Advanced Materials Department of Materials Science and EngineeringTsinghua UniversityBeijing 100084China Beijing Synchrotron Radiation Facility Institute of High Energy PhysicsChinese Academy of SciencesBeijing 100049China Key Laboratory of Advanced Material Processing&Mold Ministry of EducationZhengzhou UniversityZhengzhou 450002China

Fabricating single-atom catalysts(SACs)with high catalytic activity as well as great stability is a big ***,we propose a precise synthesis strategy to stabilize single atomic ruthenium through regulating vanadium defects of nickel vanadium layered double hydroxides(NiV-LDH)ultrathin nanoribbons ***,the isolated atomically Ru doped NiV-LDH ultrathin nanoribbons(NiVRu-R)were successfully fabricated with a super-high Ru load of 12.8 wt.%.X-ray absorption spectrum(XAS)characterization further confirmed atomic dispersion of *** catalysts for electrocatalytic hydrogen evolution reaction(HER)in alkaline media,the NiVRu-R demonstrated superior catalytic properties to the commercial Pt/***,it maintained exceptional stability even after 5,000 cyclic voltammetry ***-situ XAS and density functional theory(DFT)calculations prove that the Ru atomic sites are stabilized on supports through forming the Ru-O-V structure,which also help promote the catalytic properties through reducing the energy barrier on atomic Ru catalytic sites.

关键词： hydrogen evolution reaction layered double hydroxide ruthenium atomic site ultrathin nanoribbons

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Semitransparent organic photovoltaics enabled by transparent p-type inorganic semiconductor and near-infrared acceptor

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Journal of Energy Chemistry 2024年第9期96卷 351-358页

作者： Xue Yan Jiayu Wang Wei He Top Archie Dela Peña Can Zhu Hailin Yu Yingyue Hu Cenqi Yan Shengqiang Ren Xingyu Chen Zhe Wang Jiaying Wu Mingjie Li Jianlong Xia Lei Meng Shirong Lu Dewei Zhao Mikhail Artemyev Yongfang Li Pei Cheng College of Polymer Science and Engineering State Key Laboratory of Polymer Materials EngineeringSichuan UniversityChengdu 610065SichuanChina Department of Applied Physics The Hong Kong Polytechnic UniversityKowloonHong Kong 999077China Beijing National Laboratory for Molecular Sciences CAS Key Laboratory of Organic SolidsInstitute of ChemistryChinese Academy of SciencesBeijing 100190China College of Materials Science and Engineering&Engineering Research Center of Alternative Energy Materials&Devices Ministry of EducationSichuan UniversityChengdu 610065SichuanChina Department of Material Science and Technology Taizhou UniversityTaizhou 318000ZhejiangChina Advanced Materials Thrust Function HubThe Hong Kong University of Science and Technology(Guangzhou)Guangzhou 511400GuangdongChina State Key Laboratory of Advanced Technology for Materials Science and Processing Center of Smart Materials and DevicesWuhan University of TechnologyWuhan 430070HubeiChina Department of Civil1nd Environmental Engineering The Hong Kong University of Science and TechnologyHong Kong 999077China Research Institute for Physical Chemical Problems Belarusian State UniversityMinsk 220006Belarus

Semitransparent organic photovoltaics(STOPVs)have gained wide attention owing to their promising applications in building-integrated photovoltaics,agrivoltaics,and floating *** semiconductors with high charge carrier mobility usually have planar and conjugated structures,thereby showing strong absorption in visible *** this work,a new concept of incorporating transparent inorganic semiconductors is proposed for high-performance ***(I)thiocyanate(CuSCN)is a visible-transparent inorganic semiconductor with an ionization potential of 5.45 eV and high hole *** transparency of CuSCN benefits high average visible transmittance(AVT)of *** energy levels of CuSCN as donor match those of near-infrared small molecule acceptor BTP-eC9,and the formed heterojunction exhibits an ability of exciton *** mobility of CuSCN contributes to a more favorable charge transport channel and suppresses charge *** control STOPVs based on PM6/BTP-eC9 exhibit an AVT of 19.0%with a power conversion efficiency(PCE)of 12.7%.Partial replacement of PM6 with CuSCN leads to a 63%increase in transmittance,resulting in a higher AVT of 30.9%and a comparable PCE of 10.8%.

关键词： Copper(I)thiocyanate Inorganic semiconductor Semitransparent Organic photovoltaics Charge dissociation

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Boron nitride nanofibers enhanced composite PEO-based solid-state polymer electrolytes for lithium metal batteries

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Chinese Chemical Letters 2024年第6期35卷 216-221页

作者： Qianqian Song Yunting Zhang Jianli Liang Si Liu Jian Zhu Xingbin Yan School of Materials Science and Engineering Sun Yat-Sen UniversityGuangzhou 510275China College of Physics and Materials Science Tianjin Normal UniversityTianjin 300387China Department of Chemistry&Center of Super-Diamond and Advanced Films(COSDAF) City University of Hong KongHong Kong 999077China Guangdong-Hong Kong-Macao Joint Laboratory for Intelligent Micro-Nano Optoelectronic Technology School of Physics and Optoelectronic EngineeringFoshan UniversityFoshan 528225China

Polyethylene oxide(PEO)-based solid-state polymer electrolytes(SPEs)are limited by their poor cyclic stability and inferior ionic conductivity for applicating in high-safety,long-cycling and high-energy-density lithium metal ***,porous boron nitride nanofibers(BNNFs)are filled into PEO-based SPE,which significantly suppresses Li dendrites growth and enhances the electrochemical performance of Li metal *** with high porosity have more active sites to connect with PEO,which can effectively reduce the crystallinity of the PEO matrix and enhance its ionic ***,owing to the hardness and good stability of BNNFs,BNNFs/PEO/Li TFSI electrolyte exhibits a wider electrochemical window,better mechanical property and higher thermal stability compared with PEO/Li TFSI ***,the Li symmetric cell composed of 1%BNNFs/PEO/Li TFSI performs good cyclic stability(>1800 h),and the Li||1%BNNFs/PEO/Li TFSI||LFP full battery shows obviously improved performances in charge-discharge polarization voltage,discharge specific capacity,rate performance and cyclic stability than the Li||PEO/Li TFSI||LFP battery.

关键词： Solid-state polymer electrolyte Boron nitride nanofibers Lithium metal battery Ionic conductivity Li dendrite

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Insights into the adsorption performance and mechanism of Cr(Ⅵ)onto porous nanocomposite prepared from gossans and modified coal interface:Steric,energetic,and thermodynamic parameters interpretations

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Chinese Journal of Chemical engineering 2023年第9期61卷 118-128页

作者： Mohamed Mobarak Saleh Qaysi Mohamed Saad Ahmed Yasser F.Salama Ahmed Mohamed Abbass Mohamed Abd Elrahman Hamdy AAbdel-Gawwad Moaaz K.Seliem Physics Department Faculty of ScienceBeni-Suef UniversityEgypt Geology and Geophysics Department College of ScienceKing Saud University11451 RiyadhSaudi Arabia Geology Department Faculty of ScienceBeni-Suef UniversityEgypt Department of Building Materials and Construction ChemistryInstitute of Civil EngineeringTechnische Universitat BerlinBerlinGermany Structural Engineering Department Faculty of EngineeringMansoura UniversityMansouraEgypt Raw Building Materials and Processing Technology Research Institute Housing and Building National Research Center(HBRC)CairoEgypt Faculty of Earth Science Beni–Suef UniversityEgypt

Herein,iron oxide/hydroxides deposits(gossans)were utilized,for the first time,in the fabrication of magnetite nanoparticles(MNPs)to load modified coal(MC).The as-synthesized MNPs@MC composite was characterized via different techniques and utilized for the Cr(Ⅵ)*** studies supported by theoretical treatment were applied to offer a new overview of the Cr(Ⅵ)adsorption geometry and mechanism at 25-45℃.Experimental results suggested that the Cr(Ⅵ)uptake was mainly governed by adsorption-reduction coupled *** Langmuir model fitted well the Cr(Ⅵ)adsorption data with maximum adsorption capacities extended from 115.24 to 129.63 mg·g^(-1).Theoretical calculations indicated that Cr(Ⅵ)ions were adsorbed on the MNPs@MC following the theory of the advanced monolayer statistical *** number of ions removed per site ranged from 1.88 to1.23 suggesting the involvement of vertical geometry and multi-ionic mechanism at all *** increment of the active sites density and the adsorption capacity at saturation with improving temperature reflected an endothermic ***,the Cr(Ⅵ)adsorption was controlled by physical forces as the adsorption energies were less than 40 kJ·mol^(-1).The calculated free enthalpy,*** internal energy explained the spontaneous nature and the viability of Cr(Ⅵ)adsorption on the MNPs@MC *** results offer a new approach in utilizing the iron-rich deposits as gossans in the preparation of magnetic and low-cost adsorbents for wastewater remediation.

关键词： Coal Magnetic nanoparticles Cr(Ⅵ)adsorption Statistical models Thermodynamic parameters

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Graph deep learning accelerated efficient crystal structure search and feature extraction

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npj Computational materials 2023年第1期9卷 524-532页

作者： Chuan-Nan Li Han-Pu Liang Xie Zhang Zijing Lin Su-Huai Wei Department of Physics University of Science and Technology of ChinaHefei 230026China Hefei National Laboratory University of Science and Technology of ChinaHefei 230088China Beijing Computational Science Research Center Beijing 100193China School of Materials Science and Engineering Northwestern Polytechnical UniversityXi’an 710072China

Structural search and feature extraction are a central subject in modern materials design,the efficiency of which is currently limited,but can be potentially boosted by machine learning(ML).Here,we develop an ML-based prediction-analysis framework,which includes a symmetry-based combinatorial crystal optimization program(SCCOP)and a feature additive attribution model,to significantly reduce computational costs and to extract property-related structural *** method is highly accurate and predictive,and extracts structural features from desired structures to guide materials *** first test SCCOP on 35 typical compounds to demonstrate its *** a case study,we apply our approach to a two-dimensional B-C-N system,which identifies 28 previously undiscovered stable structures out of 82 compositions;our analysis further establishes the structural features that contribute most to energy and *** to conventional approaches,SCCOP is about 10 times faster while maintaining a comparable *** framework is generally applicable to all types of systems for precise and efficient structural search,providing insights into the relationship between ML-extracted structural features and physical properties.

关键词： structural crystal precise

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Confinement induced three-dimensional trajectories of microswimmers in rectangular channels

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Physical Review Fluids 2024年第8期9卷 083302-083302页

作者： Byjesh N. Radhakrishnan Ahana Purushothaman Ranabir Dey Sumesh P. Thampi Department of Chemical Engineering Department of Physics and Materials Science Department of Chemical Engineering College of Engineering Department of Mechanical and Aerospace Engineering

We study the trajectories of a model microorganism inside three-dimensional channels with square and rectangular cross sections. Using (1) numerical simulations based on the lattice-Boltzmann method and (2) analytical expressions using far-field hydrodynamic approximations and the method of images we systematically investigate the role of the strength and finite-size of the squirmer, confinement dimensions, and initial conditions in determining the three-dimensional trajectories of microswimmers. Our results indicate that the hydrodynamic interactions with the confining walls of the channel significantly affect the swimming speed and trajectory of the model microswimmer. Specifically, pullers always display sliding motion inside the channel: weak pullers slide through the channel center line, while strong pullers slide through a path close to any of the walls. Pushers generally follow helical motion in a square channel. Unlike pullers and pushers, the trajectories of neutral swimmers are not easy to generalize and are sensitive to the initial conditions. Despite this diversity in the trajectories, the far-field expressions capture the essential features of channel-confined swimmers. Finally, we propose a method based on the principle of superposition to understand the origin of the three-dimensional trajectories of channel confined swimmers. Such construction allows us to predict and justify the origin of apparently complex three-dimensional trajectories generated by different types of swimmers in channels with square and rectangular cross sections.

关键词： Complex fluids Living matter & active matter Self-propelled particles

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Self-energy dynamics and the mode-specific phonon threshold effect in Kekulé-ordered graphene

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National science Review 2022年第5期9卷 81-88页

作者： Hongyun Zhang Changhua Bao Michael Schüler Shaohua Zhou Qian Li Laipeng Luo Wei Yao Zhong Wang Thomas P.Devereaux Shuyun Zhou State Key Laboratory of Low-Dimensional Quantum Physics and Department of Physics Tsinghua University Stanford Institute for Materials and Energy Sciences (SIMES) SLAC National Accelerator Laboratory Institute for Advanced Study Tsinghua University Department of Materials Science and Engineering Stanford University Frontier Science Center for Quantum Information

Electron-phonon interaction and related self-energy are fundamental to both the equilibrium properties and non-equilibrium relaxation dynamics of *** ele ctron-phonon interaction has been suggested by various time-resolved measurements to be important for the relaxation dynamics of graphene,the lack of energy-and momentum-resolved self-energy dynamics prohibits direct identification of the role of specific phonon modes in the relaxation ***,by performing time-and angle-resolved photoemission spectroscopy measurements on Kekulé-ordered graphene with folded Dirac cones at the Γ point, we have succeeded in resolving the self-energy effect induced by the coupling of electrons to two phonons at Ω1=177 meV and Ω2=54 meV,and revealing its dynamical change in the time ***,these strongly coupled phonons define energy thresholds,which separate the hierarchical relaxation dynamics from ultrafast,fast to slow,thereby providing direct experimental evidence for the dominant role of mode-specific phonons in the relaxation dynamics.

关键词： TrARPES self-energy electron-phonon coupling Kekulé-ordered graphene

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