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Ab initio molecular dynamics and materials design for embedded phase-change memory

npj Computational materials 2021年第1期7卷 256-263页

作者： Liang Sun Yu-Xing Zhou Xu-Dong Wang Yu-Han Chen Volker LDeringer Riccardo Mazzarello Wei Zhang Key Laboratory of Materials Processing Engineering College of Materials Science and EngineeringXi’an Shiyou UniversityXi’anChina Center for Alloy Innovation and Design(CAID) State Key Laboratory for Mechanical Behavior of MaterialsXi’an Jiaotong UniversityXi’anChina Materials Studio for Neuro-inspired Computing School of Materials Science and EngineeringXi’an Jiaotong UniversityXi’anChina Department of Chemistry Inorganic Chemistry LaboratoryUniversity of OxfordOxfordUK Institute for Theoretical Solid-State Physics JARA-FIT and JARA-HPCRWTH Aachen UniversityAachenGermany Department of Physics Sapienza University of RomeRomeItaly Department of Chemistry University of OxfordOxfordUK

The Ge_(2)Sb_(2)Te_(5)alloy has served as the core material in phase-change memories with high switching speed and persistent storage capability at room *** widely used,this composition is not suitable for embedded memories—for example,for automotive applications,which require very high working temperatures above 300℃.Ge–Sb–Te alloys with higher Ge content,most prominently Ge2Sb1Te2(‘212’),have been studied as suitable alternatives,but their atomic structures and structure–property relationships have remained widely ***,we report comprehensive first-principles simulations that give insight into those emerging materials,located on the compositional tie-line between Ge_(2)Sb_(1)Te_(2) and elemental Ge,allowing for a direct comparison with the established Ge_(2)Sb_(2)Te_(5)***-structure computations and smooth overlap of atomic positions(SOAP)similarity analyses explain the role of excess Ge content in the amorphous *** with energetic analyses,a compositional threshold is identified for the viability of a homogeneous amorphous phase(‘zero bit’),which is required for memory *** on the acquired knowledge at the atomic scale,we provide a materials design strategy for high-performance embedded phase-change memories with balanced speed and stability,as well as potentially good cycling capability.

关键词： cycling alloy phase

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Applications of MXenes in human-like sensors and actuators

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Nano Research 2023年第4期16卷 5767-5795页

作者： Jinbo Pang Songang Peng Chongyang Hou Xiao Wang Ting Wang Yu Cao Weijia Zhou Ding Sun Kai Wang Mark H.Rümmeli Gianaurelio Cuniberti Hong Liu Institute for Advanced Interdisciplinary Research(iAIR) Collaborative Innovation Center of Technology and Equipment for Biological Diagnosis and Therapy in Universities of ShandongUniversity of JinanJinan 250022China Institute for Materials Science and Max Bergmann Center of Biomaterials Technische Universität DresdenDresden 01069Germany Center for Advancing Electronics Dresden Technische Universität DresdenDresden 01069Germany Dresden Center for Computational Materials Science Technische Universität DresdenDresden 01062Germany Dresden Center for Intelligent Materials(GCL DCIM) Technische Universität DresdenDresden 01062Germany High-Frequency High-Voltage Device and Integrated Circuits R&D Center Institute of MicroelectronicsChinese Academy of SciencesBeijing 100029China Key Laboratory of Microelectronic Devices&Integrated Technology Institute of MicroelectronicsChinese Academy of SciencesBeijing 100029China Shenzhen Key Laboratory of Nanobiomechanics Shenzhen Institute of Advanced TechnologyChinese Academy of SciencesShenzhen 518055China State Key Laboratory of Biobased Material and Green Papermaking Qilu University of TechnologyShandong Academy of SciencesJinan 250353China School of Bioengineering Qilu University of TechnologyShandong Academy of ScienceJinan 250353China Key Laboratory of Modern Power System Simulation and Control&Renewable Energy Technology(Ministry of Education) Northeast Electric Power UniversityJilin 132012China School of Electrical Engineering Northeast Electric Power UniversityJilin 132012China School of Electrical Engineering Weihai Innovation Research InstituteQingdao UniversityQingdao 266000China School of Electrical and Computer Engineering Jilin Jianzhu UniversityChangchun 130118China Institute for Complex Materials Leibniz Institute for Solid State and Materials Research Dresden(IFW Dresden)20 Helmholtz StrasseDresden 01069Germany College of Energy Soochow Institute for Energy and Materials Innovations Soochow UniversitySuzhou 215006China Key L

Human beings perceive the world through the senses of sight,hearing,smell,taste,touch,space,and *** first five senses are prerequisites for people to *** sensing organs upload information to the nervous systems,including the brain,for interpreting the surrounding ***,the brain sends commands to muscles reflexively to react to stimuli,including light,gas,chemicals,sound,and ***,as an emerging two-dimensional material,has been intensively adopted in the applications of various sensors and *** this review,we update the sensors to mimic five primary senses and actuators for stimulating muscles,which employ MXene-based film,membrane,and composite with other functional ***,a brief introduction is delivered for the structure,properties,and synthesis methods of ***,we feed the readers the recent reports on the MXene-derived image sensors as artificial retinas,gas sensors,chemical biosensors,acoustic devices,and tactile sensors for electronic ***,the actuators of MXene-based composite are ***,future opportunities are given to MXene research based on the requirements of artificial intelligence and humanoid robot,which may induce prospects in accompanying healthcare and biomedical engineering applications.

关键词： MXenes sensors actuators gas sensors biosensors tactile sensors sound sensors artificial retina

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Microstructure modification and corrosion resistance enhancement of die-cast Mg-Al-Re alloy by Sr alloying

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Journal of Magnesium and Alloys 2021年第3期9卷 950-963页

作者： Matthew S.Dargusch Zhiming Shi Hanliang Zhu Andrej Atrens Guang-Ling Song The University of Queensland Centre for Advanced Materials Processing and Manufacturing(AMPAM)School of Mechanical and Mining EngineeringBrisbaneQLD 4072Australia Australian Nuclear Science&Technology Organisation Locked Bag 2001Kirrawee DCSydneyNSW 2232Australia The University of Queensland Materials EngineeringSchool of Mechanical and Mining EngineeringBrisbaneQld 4072Australia State Key Lab for Physical Chemistry of Solid State Surfaces Center for Marine Materials Corrosion and ProtectionCollege of MaterialsXiamen UniversityXiamenFujian 361005China

The effects of Sr additions on the microstructure and corrosion performance of a Mg-Al-RE alloy in 3.5 wt.%Na Cl saturated with Mg(OH)_(2) have been *** examination reveals that the Sr addition introduces additional intermetallic phases,refines intermetallic networks and dendritic grains,and improves the network *** Al and rare earth elements can be identified in the intermetallics and grain boundaries or inter-dendrite regions under a transmission electron microscope and secondary electron microscope,*** the Sr-containing intermetallic phases and the refined microstructure,the oxide films become more protective,resulting in more corrosion resistant boundary areas and thus dendrite grain ***,the presence of large amounts of intermetallics and boundaries can enhance the corrosion performance of the Mg-Al-RE alloy containing Sr.

关键词： A.magnesium B.TEM B.SEM C.segregation C.Alkaline corrosion

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Alternative photothermal/electrothermal hierarchical membrane for hypersaline water treatment

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SusMat 2022年第6期2卷 679-688页

作者： Miao Wang Wen He Yuhui Hua Xinwen Xie Shiyan Chen Lei Zhou Yunmao Zhang Yaqi Hou Shihong Lin Haiping Xia Jing Zheng Xu Hou State Key Laboratory of Physical Chemistry of Solid Surfaces Department of ChemistryCollege of Chemistry and Chemical EngineeringXiamen UniversityXiamenChina College of Materials Xiamen UniversityXiamenChina Research Institute for Biomimetics and Soft Matter Fujian Provincial Key Laboratory for Soft Functional Materials ResearchJiujiang Research InstituteCollege of Physical Science and TechnologyXiamen UniversityXiamenChina Shenzhen Grubbs Institute and Guangdong Provincial Key Laboratory of Catalysis Department of ChemistrySouthern University of Science and TechnologyShenzhenChina Collaborative Innovation Center of Chemistry for Energy Materials(iChEM) Xiamen UniversityXiamenChina Department of Civil and Environmental Engineering Vanderbilt UniversityNashvilleTennesseeUSA Interdisciplinary Material Science Program Vanderbilt UniversityNashvilleTennesseeUSA Tan Kah Kee Innovation Laboratory Xiamen UniversityXiamenChina Engineering Research Center of Electrochemical Technologies of Ministry of Education Department of ChemistryCollege of Chemistry and Chemical EngineeringXiamen UniversityXiamenChina

Over the last decades,the treatment of the large quantities of hypersaline wastewater generated by conventional industries,inland desalination,and fossil-fueled power plants has been an important economic issue and also an inescapable green ***,we developed a versatile interfacial heating membrane with alternating utilization of electricity or solar energy for hypersaline water *** hierarchical membrane functions both as a separation membrane and an interface heater,which can quickly(<0.1 s)convert electricity or solar energy into heat to evaporate the outermost layer of hypersaline *** 10wt% hyper-saline water,the freshwater production rate can reach 16.8kg/m^(2)⋅h by applying a voltage of 10 V and 1.36 kg/m^(2)⋅h under 1-sun ***,it exhibits high electrochemical resistance to corrosion and therefore remains stable tack-ling hypersaline water(>5 wt%),with a high salt rejection rate of 99.99%.This system shows an efficient desalination strategy that can provide fresh water from brines for agriculture and industry,and even for daily life.

关键词： carbon nanotubes electrothermal hypersaline water treatment interface evaporate pho-tothermal

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Present status and future prospects for monolithic all-perovskite tandem solar cells

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science China materials 2022年第12期65卷 3353-3360页

作者： Jin Wen Hairen Tan National Laboratory of Solid State Microstructures Collaborative Innovation Center of Advanced MicrostructuresJiangsu Key Laboratory of Artificial Functional MaterialsFrontiers Science Center for Critical Earth Material CyclingCollege of Engineering and Applied SciencesNanjing UniversityNanjing 210023China

Photovoltaic(PV)technologies have been considered as one of the most promising low-cost alternatives of traditional fossil *** silicon(c-Si)solar cells currently dominate the commercial PV market due to their robust manufacturing,excellent reliability and abundant raw *** costs of c-Si PVs have dropped significantly in the last decade,driving the global exponential growth in ***,for state-ofthe-art c-Si cells,the efficiency is approaching their practical efficiency limit of∼27%,leaving very limited space for *** further drive down the costs of PV electricity,it is imperative to develop low-cost PV technologies that can further increase the power conversion efficiencies(PCEs)at the cell and module levels.

关键词：光电转换效率叠层太阳能电池光伏技术度电成本钙钛矿窄带隙隧穿结宽带隙

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Erosion and deuterium retention behavior of tungsten exposed to impurity-seeded deuterium plasma

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Tungsten 2021年第4期3卷 448-458页

作者： Hong Zhang Han-Wen Zhang Li Qiao Xue-Xi Zhang Ran He Peng Wang State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical PhysicsChinese Academy of SciencesLanzhou 730000China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049China School of Nuclear Science and Technology Lanzhou UniversityLanzhou 730000China

The effect of plasma impurity seeding on erosion and deuterium(D)retention behavior of tungsten(W)is investigated on linear experimental plasma system(LEPS).The incident D energy is 38 and 71 eV per D,and the D fluence varies from 3×10^(23)to 1×10^(26)D·m^(-2).The results of erosion reveal that argon(Ar)seeding strongly enhances erosion,helium(He)seed-ing slightly increases sputtering yield depending on the ratio of He in plasma,while nitrogen(N)seeding inhibits erosion and reduces the sputtering ***,O impurity dominates the erosion behavior during pure D plasma exposure when the D incident energy is lower than the sputtering threshold of W by *** blistering and D retention behavior,compared with pure D exposure,Ar seeding reduces the amount and increases the size of blister,and leads to the increase of D *** seeding has the opposite result,showing almost no blisters at sample surface and a dramatic drop in D retention.D retention decreases with increasing N content,and ruptured blisters are observed at a high D fluence of 1×10^(26)D·m^(-2).

关键词： Tungsten Erosion Deuterium retention Impurity seeding

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Deposition of DLC film on the inner surface of N80 pipeline by hollow cathode PECVD

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Surface science and Technology 2023年第1期1卷 226-237页

作者： Zhengyu Liu Chenglong Mou Pingmei Yin Xueqian Cao Guangan Zhang Qunji Xue State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical PhysicsChinese Academy of SciencesLanzhou 730000China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049China

The corrosion and wear of N80 pipeline in oil and gas field environment has always been an urgent problem to be solved in the field of oil and gas *** film is considered to be an effective material for prolonging the service life of pipeline due to its excellent ***,it is very difficult to deposit a uniform DLC film on the inner surface of long *** this paper,DLC film was deposited on the inner surface of a 1 m-long N80 pipeline with an inner diameter of 75 mm by hollow cathode plasma enhanced chemical vapor deposition(HCPECVD)using the pipeline itself as the deposition chamber and *** uniformity of microstructure,mechanical properties,corrosion resistance and tribological properties of DLC film were *** results show that the DLC film deposited on the inner surface of N80 long pipeline by HC-PECVD equipment possesses excellent axial *** deposition of DLC film increases the corrosion potential and reduces the corrosion current density,which greatly improves the corrosion resistance of N80 *** addition,the deposition of DLC film also reduces the friction coefficient and wear rate,which greatly improves the wear resistance of N80 ***,the deposition of DLC film is an effective protection method for the inner surface of N80 pipeline,which prolongs the service life of the ***-PECVD equipment with pipeline as cavity uniformly deposits DLC film on the inner surface of long pipeline,which is a potential deposition method to prolong the service life of long pipeline in oil and gas exploitation.

关键词： HC-PECVD DLC film Pipeline inner surface N80 pipeline Corrosion Tribology

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Wear-less Mo coating achieved by the formation of Ga-Al lubricating film at current-carrying friction

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Applied Surface science 2025年 706卷

作者： Liu, Jiangxia Tan, Hui Geng, Yushan Chen, Wenyuan Chen, Juanjuan Chen, Jiao Cheng, Jun Zhu, Shengyu Yang, Jun State Key Laboratory of Solid Lubrication Lanzhou Institute of Chemical Physics Chinese Academy of Sciences Lanzhou730000 China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of Sciences Beijing100049 China Shandong Laboratory of Advanced Materials and Green Manufacturing at Yantai Yantai264006 China

Achieving wear-less materials at current-carrying friction is troublesome problem due to arc erosion wear and insufficient lubrication. In this work, we propose a novel approach for receiving near-zero wear protection of current-carrying frictional material by in-situ forming a metallic lubricating film. We constructed the tribo-pair of Mo coating and Al alloy with gallium-based liquid metal (GLM) lubrication at current-carrying friction, which showed that GLM as an effective conductive lubricant not only inhibits arc erosion and abrasive wear but also significantly enhances electron transport efficiency at the contact surface. Moreover, we found an exceptional "negative wear" effect due to the formation of tribo-layer containing Ga@Al nano-laminar microstructure, thereby realizing the wear-less performance of Mo coating. This method of material protection is anticipated to an emerging life-extension solution to conductive tribo-material and electric engineering. © 2025 Elsevier B.V.

关键词： Gallium alloys

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Mussel-Inspired and Bioclickable Peptide Engineered Surface to Combat Thrombosis and Infection

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Research 2022年第3期2022卷 91-104页

作者： Xiaohui Mou Hongbo Zhang Hua Qiu Wentai Zhang Ying Wang Kaiqin Xiong Nan Huang Hélder A.Santos Zhilu Yang Affiliated Dongguan Hospital Southern Medical UniversityDongguanGuangdong 523059China Guangdong Provincial Key Laboratory of Shock and Microcirculation GuangzhouGuangdong 510080China Key Laboratory of Advanced Technologies of Materials Ministry of EducationSchool of Materials Science and EngineeringSouthwest Jiaotong UniversityChengdu 610031China Pharmaceutical Sciences Laboratory Åbo Akademi UniversityTurku Biosciences CenterUniversity of Turku andÅbo Akademi University20520 TurkuFinland State Key Laboratory of Molecular Engineering of Polymers Fudan UniversityShanghai 200438China Department of Biomedical Engineering and W.J.Kolff Institute for Biomedical Engineering and Materials Science University Medical Center Groningen/University of GroningenAnt.Deusinglaan 19713 AV GroningenNetherlands Drug Research Program Division of Pharmaceutical Chemistry and TechnologyFaculty of PharmacyUniversity of HelsinkiFI-00014 HelsinkiFinland

Thrombosis and infections are the two major complications associated with extracorporeal circuits and indwelling medical devices,leading to significant mortality in *** address this issue,here,we report a biomimetic surface engineering strategy by the integration of mussel-inspired adhesive peptide,with bio-orthogonal click chemistry,to tailor the surface functionalities of tubing and *** by mussel adhesive foot protein,a bioclickable peptide mimic(DOPA)4-azidebased structure is designed and grafted on an aminated tubing robustly based on catechol-amine ***,the dibenzylcyclooctyne(DBCO)modified nitric oxide generating species of 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid(DOTA)chelated copper ions and the DBCO-modified antimicrobial peptide(DBCO-AMP)are clicked onto the grafted surfaces via bio-orthogonal *** combination of the robustly grafted AMP and Cu-DOTA endows the modified tubing with durable antimicrobial properties and ability in long-term catalytically generating NO from endogenous snitrosothiols to resist adhesion/activation of platelets,thus preventing the formation of ***,this biomimetic surface engineering technology provides a promising solution for multicomponent surface functionalization and the surface bioengineering of biomedical devices with enhanced clinical performance.

关键词： DOTA generating Engine

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Pseudocapacitive desalination via valence engineering with spindle-like manganese oxide/carbon composites

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Nano Research 2021年第12期14卷 4878-4884页

作者： Yingsheng Xu Shuhong Xiang Hengjian Mao Hongjian Zhou Guozhong Wang Haimin Zhang Huijun Zhao Department of Materials Science and Engineering University of Science and Technology of ChinaHefei230026China Key Laboratory of Materials Physics Centre for Environmental and Energy NanomaterialsAnhui Key Laboratory of Nanomaterials and NanotechnologyCAS Center for Excellence in NanoscienceInstitute of Solid State PhysicsHFIPSChinese Academy of SciencesHefei230031China Centre for Clean Environment and Energy Griffith UniversityGold Coast CampusQLD4222AustraliaSouthport

Manganese tetravalent oxide(MnO_(2)),a superstar Faradic electrode material,has been investigated extensively for capacitive desalination,enabling higher salt adsorption capacity compared to the great majority of carbonous ***,few works paid attention on the relationship between the valences of manganese oxide and their desalination *** the first time,we prepared the spindle-like manganese oxides/carbon composites with divalent(MnO@C),trivalent(Mn_(2)O_(3)@C)and divalent/trivalent(Mn_(3)O_(4)@C)manganese by pyrolysis of manganese carbonate precursor under different condition,*** electrochemical behavior in three-electrode system and electrosorption performance obtained in hybrid membrane capacitive deionization(HMCDI)cells assembled with capacitive carbon electrodes were systematically evaluated,*** salt adsorption capacity(as large as 31.3,22.2,and 18.9 mg·g^(−1))and corresponding average salt adsorption rates(0.83,0.53,and 1.71 mg·g^(−1)min−1)were achieved in 500 mg·L^(−1) NaCl solution for MnO@C,Mn_(2)O_(3)@C,and Mn_(3)O_(4)@C,*** fifteen electrosorption-desorption cycles,ex-situ water contact angle and morphology comparison analysis demonstrated the superior cycling durability of the manganese oxide electrodes and subtle difference between their surface ***,density functional theory(DFT)was also conducted to elaborate the disparity among the valence states of manganese(+2,+3 and +2/+3)for in-depth *** work introduced manganese oxide with various valences to blaze new trails for developing novel Faradic electrode materials with high-efficiency desalination performance by valence engineering.

关键词： capacitive deionization manganese oxides Faradic electrode desalination valence engineering

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