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Journal of materials Science & Technology 2015年第1期31卷 1-9页

作者： A.U.Ubale M.R.Belkhedkar nanostructured Thin Film materials Laboratory Department of PhysicsGovt.Vidarbha Institute of Science and Humanities department of Physics Shri Shivaji College

Thin films of nanostructured α-FeOwith thickness of 1 56,203 and 251 nm were deposited by successive ionic layer adsorption and reaction(SILAR) method onto glass substrates using FeCl-6HO and NaOH as cationic and anionic *** X-ray diffraction studies revealed that,α-FeOthin films are nanocrystalline in nature with rhombohedral *** morphological properties were investigated by field emission scanning electron and atomic force *** optical studies showed that α-FeOexhibits direct as well as indirect optical band gap *** electrical resistivity of α-FeOat 305 K decreases from 11.76×102 to9.46 × 10~2 Ω cm as film thickness increases from 156 to 251 *** thermo-emf measurements confirmed that α-FeOexhibits n-type *** nanocrystalline α-FeOexhibits antibacterial character against Staphylococcus aureus and its efficiency increases from 37.50%to 87.50%depending on crystallite size.

关键词： Thin films Nanostructures AFM(atomic force microsc

Influence of coupling with calculation of phase diagrams on microsegregation forming simulation of Al-4.5%Cu alloy

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中国有色金属学会会刊：英文版 2006年第A2期16卷 149-153页

作者：刘永刚陈光孙国雄 Joint Laboratory of nanostructured materials and Technology Nanjing University of Science and Technology Nanjing 210094 China department of materials Science and Engineering Southeast University Nanjing 210096 China

The effect of coupling with calculation of phase diagrams on microsegregation forming simulation was investigated. The traditional simplified phase diagram and calculated phase diagram were introduced into the numerical models respectively and simulation on microsegregation forming of the Al-4.5%Cu alloy ingot was also presented. The simulation results were both compared with the experiment results. The results show that the calculated sencondary arm spacing with these two kinds of phase diagram are almost the same because relationship between the coarsening model and the information of phase diagram is not close. The calculated eutectic phase volume fractions of different locations in the ingot coupled with different phase diagrams are discrepant. The calculated volume fractions are consistent with the experiment results when calculated phase diagram couples, but are far from the experiment results and obviously inacceptable when traditional simplified phase diagram couples. So, coupling with accurate calculated phase diagrams is very significant for microsegregation forming simulation since much information of the phase diagram is used in the models and it can improve the precision of simulation results.

关键词：铜铝合金显微偏析相图模拟计算凝固过程

Structure of nano-copper and nano-conductive fibers

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Chinese Science Bulletin 1997年第18期42卷 1535-1538页

作者： Zhang, ZK Cui, ZL Chen, KZ Wang, YN Ning, YP Institute of nanostructured materials Qingdao Institute of Chemical Technology Qingdao China department of Rubber of Qingdao Institute of Chemical Technology Qingdao China

VARIOUS small inorganic solid grain catalysts, alloys and films consisting of various nano-size particles were prepared by chemical methods. The study of catalytic properties of nanostructured materials integrated mat... 详细信息

关键词： polymerization nano-copper, nano-conductive fibers.

Hydrophobic silica nanoparticle-stabilized invert emulsion as drilling fluid for deep drilling

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Petroleum Science 2017年第1期14卷 105-115页

作者： Maliheh Dargahi-Zaboli Eghbal Sahraei Behzad Pourabbas department of Chemical Engineering Petroleum Research CenterSahand University of TechnologyTabrizIran department of Polymer Engineering Nanostructured Materials Research CenterSahand University of TechnologyTabrizIran

An oil-based drilling fluid should be stable and tolerant to high temperatures for use in deep drilling. An invert emulsion of water in oil is a good choice as an oil- based drilling fluid which is a mixture of a solid phase and two immiscible liquid phases stabilized by a polymeric surfactant. In deep drilling, due to high temperatures, the polymeric surfactant degrades and a phase separation occurs. Here, octadecyltrimethoxysilane-modified silica nanoparticles were used to form a stable invert emulsion of water in oil for the drilling fluid model which resulted in a milky fluid with the formation of 60 gm water droplets. In addition, rheological study showed that using hydrophobic silica nanoparticles resulted in a stable water in oil invert emulsion with desired properties for a drilling fluid that can be modified by adjusting the nanoparticle nature and content. Aging experiments at 120 ℃ indicated that they also have good stability at high temperatures for challenging drilling operations.

关键词： Deep drilling Drilling fluid model High-temperature aging Rheology Silica nanoparticles Stable invert emulsion

Shift current photovoltaic efficiency of 2D materials

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npj Computational materials 2023年第1期9卷 1991-1999页

作者： Mikkel Ohm Sauer Alireza Taghizadeh Urko Petralanda Martin Ovesen Kristian Sommer Thygesen Thomas Olsen Horia Cornean Thomas Garm Pedersen department of materials and Production Aalborg University9220 AalborgØstDenmark department of Mathematical Sciences Aalborg University9220 AalborgØstDenmark Center for nanostructured Graphene(CNG) 9220 AalborgØstDenmark Computational Atomic-scale materials Design(CAMD) Department of PhysicsTechnical University of Denmark2800 Kgs.LyngbyDenmark department of Physics University of the Basque Country(UPV/EHU)Apartado 644Bilbao 48080Spain Center for nanostructured Graphene(CNG) 2800 Kgs.LyngbyDenmark

Shift current photovoltaic devices are potential candidates for future cheap,sustainable,and efficient electricity *** the present work,we calculate the solar-generated shift current and efficiencies in 326 different 2D materials obtained from the computational database *** apply,as metrics,the efficiencies of monolayer and multilayer *** monolayer efficiencies are generally found to be low,while the multilayer efficiencies of infinite stacks show great ***,the out-of-plane shift current response is considered,and material candidates for efficient out-of-plane shift current devices are *** the screened materials,MXY Janus and MX_(2) transition metal dichalchogenides(TMDs)constitute a prominent subset,with chromium based MXY Janus TMDs holding particular ***,in order to explain the band gap dependence of the PV efficiency,a simple gapped graphene model with a variable band gap is established and related to the calculated efficiencies.

关键词： Shift database multilayer

Conducting Polymer-Based e-Refinery for Sustainable Hydrogen Peroxide Production

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Energy & Environmental materials 2024年第2期7卷 334-342页

作者： Zhixing Wu Penghui Ding Viktor Gueskine Robert Boyd Eric Daniel G■owacki Magnus Odén Xaνier Crispin Magnus Berggren Emma M.Björk Mikhail Vagin nanostructured materials Department of PhysicsChemistry and Biology(IFM)Linköping UniversitySE 58183LinköpingSweden Laboratory of Organic Electronics Department of Science and Technology(ITN)Linköping UniversitySE 60174NorrköpingSweden

Electrocatalysis enables the industrial transition to sustainable production of chemicals using abundant precursors and electricity from renewable ***-centralized production of hydrogen peroxide(H_(2)O_(2))from water and oxygen of air is highly desirable for daily life and *** report an effective electrochemical refinery(e-refinery)for H_(2)O_(2)by means of electrocatalysis-controlled comproportionation reaction(2_(H)O+o→2HO),feeding pure water and oxygen *** nickel(Ⅱ)oxide(NiO)was used as electrocatalyst for oxygen evolution reaction(OER),producing oxygen at the *** polymer poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate)(PEDOT:PSS)drove the oxygen reduction reaction(ORR),forming H_(2)O_(2)on the *** reactions were evaluated in both half-cell and device *** performance of the H_(2)O_(2)e-refinery,assembled on anion-exchange solid electrolyte and fed with pure water,was limited by the unbalanced ionic *** of the operation conditions allowed a conversion efficiency of 80%.

关键词： conducting polymer hydrogen peroxide nickel(Ⅱ)oxide oxygen evolution reaction oxygen reduction reaction

Exploring and machine learning structural instabilities in 2D materials

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npj Computational materials 2023年第1期9卷 2016-2025页

作者： Simone Manti Mark Kamper Svendsen Nikolaj R.Knøsgaard Peder M.Lyngby Kristian S.Thygesen CAMD Computational Atomic-Scale Materials DesignDepartment of PhysicsTechnical University of Denmark2800 Kgs.LyngbyDenmark Center for nanostructured Graphene(CNG) Department of PhysicsTechnical University of DenmarkDK-2800 Kongens LyngbyDenmark

We address the problem of predicting the zero-temperature dynamical stability (DS) of a periodic crystal without computing its fullphonon band structure. Here we report the evidence that DS can be inferred with good reliability from the phonon frequencies atthe center and boundary of the Brillouin zone (BZ). This analysis represents a validation of the DS test employed by theComputational 2D materials Database (C2DB). For 137 dynamically unstable 2D crystals, we displace the atoms along an unstablemode and relax the structure. This procedure yields a dynamically stable crystal in 49 cases. The elementary properties of these newstructures are characterized using the C2DB workflow, and it is found that their properties can differ significantly from those of theoriginal unstable crystals, e.g., band gaps are opened by 0.3 eV on average. All the crystal structures and properties are available inthe C2DB. Finally, we train a classification model on the DS data for 3295 2D materials in the C2DB using a representation encodingthe electronic structure of the crystal. We obtain an excellent receiver operating characteristic (ROC) curve with an area under thecurve (AUC) of 0.90, showing that the classification model can drastically reduce computational efforts in high-throughput studies.

关键词： structure unstable structural

The Shaping and Densification of Silicon Carbide while Avoiding Alumina as a Sintering Additive

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材料科学与工程（中英文A版） 2011年第3X期1卷 301-311页

作者： Katja Rade Sasa Novak Spomenka Kobe Jozef Stefan Institute Department for Nanostructured Materials Ljubljana Slovenia

Amyloid fragments and their toxicity on neural cells

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Regenerative Biomaterials 2019年第2期6卷 121-127页

作者： Eva Bystrenova Zuzana Bednarikova Marianna Barbalinardo Cristiano Albonetti Francesco Valle Zuzana Gazova Institute of nanostructured materials I.S.M.N–C.N.R. via Gobetti101Bologna 40129Italy department of Biophysics Institute of Experimental Physics SASWatsonova 47Kosice 04353Slovakia

The formation of amyloid fibrils from soluble proteins is a common form of self-assembly phenomenon that has fundamental connections with biological functions and human *** was converted from its soluble native state into highly organized amyloid *** treatment was used to break amyloid fibrils to fibrillar fragments–*** force microscopy and fluorescence microscopy was employed to characterize the morphology of the amyloid assemblies and neural cells–amyloid *** results demonstrate that prefibrillar intermediated and their mixture with proteins exhibit toxicity,although native proteins and fibrils appear to have no effect on number of *** findings confirm that innocuous hen lysozyme can be engineered to produce both cytotoxic fibrillar fragments and non-toxic mature amyloid *** work further strengthens the claim that amyloid conformation,and not the identity of the protein,is key to cellular toxicity and the underlying specific cell death mechanism.

关键词： amyloid fibrils protein aggregation neural cells atomic force microscopy fluorescence microscopy

Density of states characterization of TiO_(2) films deposited by pulsed laser deposition for heterojunction solar cells

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Nano Research 2022年第5期15卷 4048-4057页

作者： Daniele Scire Roberto Macaluso Mauro Mosca Maria Pia Casaletto Olindo Isabella Miro Zeman Isodiana Crupi department of Engineering University of PalermoViale delle ScienzeEd.9Palermo 90128Italy Institute of nanostructured materials(ISMN) National Research Council(CNR)Via Ugo La Malfa 153Palermo 90146Italy Photovoltaic materials and Devices Group Delft University of TechnologyMekelweg 4Delft 2628CDthe Netherlands

The application of titanium dioxide(TiO_(2))in the photovoltaic(PV)field is gaining traction as this material can be deployed in doping-free heterojunction solar cells with the role of electron selective *** modeling-based optimization of such contact,knowledge of the titanium oxide defect density of states(DOS)is *** this paper,we report a method to extract the defect density through nondestructive optical measures,including the contribution given by small polaron optical *** presence of both related to oxygen-vacancy defects and polarons is supported by the results of optical characterizations and the evaluation of previous observations resulting in a defect band fixed at 1 eV below the conduction band edge of the *** cells employing pulsed laser deposited-TiO_(2)electron selective contacts were fabricated and *** J-V curve of these cells showed,however,an S-shape,then a detailed analysis of the reasons for such behavior was carried *** use a model involving the series of a standard cell equivalent circuit with a Schottky junction in order to explain these atypical performances.A good matching between the experimental measurements and the adopted theoretical model was *** extracted parameters are listed and analyzed to shed light on the reasons behind the low-performance cells.

关键词： solar cell heterojunction photovoltaic(PV) defect density small polaron pulsed laser deposition(PLD) titanium dioxide(TiO_(2)) defects