Nicodemo Di Pasquale、Stuart J. Davie、Paul L. A. Popelier2018-04-04The Journal of Chemical Physics
Using the machine learning method kriging, we predict the energies of atoms in ion-water clusters, consisting of either Cl− or Na+ surrounded by a number of water molecules (i.e., without Na+Cl− interaction). These atomic energies are calculated following the topological energy partitioning method called Interacting Q…
Computational Drug Discovery MethodsSpectroscopy and Quantum Chemical StudiesMachine Learning in Materials Science
Yuga Miyamoto、Daiki Yoshikawa、Kuniharu Takei 等 5 位作者2018-04-04Japanese Journal of Applied Physics
Abstract An atomically thin MoS 2 field-effect transistor (FET) is expected as an ultrathin photosensor with high sensitivity. However, a persistent photoconductivity phenomenon prevents high-speed photoresponse. Here, we investigate the photoresponse of a MoS 2 FET with a thin Al 2 O 3 buffer layer on a SiO 2 gate in…
Graphene research and applicationsPerovskite Materials and Applications2D Materials and Applications
Swetha Andra、Rajalakshmi Ramoorthy、Murugesan Muthalagu2018-04-04Materials Research Express
Green synthesis of CuO nanospindles and their assembly into nanoflowers has been demonstrated by changing the solvents such as water and ethanol along with the Dodonaea angustifolia (DA) extract. This is the first to report the use of DA extract for the green synthesis of nanostructures. The DA+water yielded the nanos…
Nanoparticles: synthesis and applicationsZnO doping and propertiesCopper-based nanomaterials and applications
Nadia Sebbar、Joseph W. Bozzelli、H. Bockhorn 等 4 位作者2018-04-04Combustion Science and Technology
Several chemical reactions related to the oxidation and combustion of sulfur are investigated using a number of computational chemistry methods with the objective of determining appropriate methods for use in developing an elementary reaction mechanism for oxidation of sulfur. Calculations are focused on thermochemica…
Atmospheric chemistry and aerosolsThermal and Kinetic AnalysisIndustrial Gas Emission Control
Emily K. Breitner、Katherine Eileen Burns、Saber M. Hussain 等 4 位作者2018-04-04Nanotechnology
Silver nanoparticles (AgNPs) are being increasingly utilized in consumer and medical applications. However, there remains conflicting reports on their safety, which are evaluated through a combination of in vitro and in vivo exposure models. These discrepancies may arise, in part, due to the inherent differences betwe…
Nanoparticles: synthesis and applicationsHealthcare and Environmental Waste Management
Zhibo Song、Qixing Wang、Ming‐Yang Li 等 11 位作者2018-04-04Physical review. B./Physical review. B
Hybrid van der Waals heterostructures constructed by the integration of organic molecules and two-dimensional (2D) transition metal dichalcogenide (TMD) materials have useful tunable properties for flexible electronic devices. Due to the chemically inert and atomically smooth nature of the TMD surface, well-defined cr…
Graphene research and applications2D Materials and ApplicationsAdvanced Thermoelectric Materials and Devices
Don Biswas、Gambheer Singh Kathait、Prashant Thapliyal 等 5 位作者2018-04-04Ferroelectrics
Dielectric constant, loss tangent and electrical conductivity of Na1−xKxNbO3 (X = 0.08 and 0.17)(SPN) ceramic pellets have been measured at 10, 100 and 1000 kHz frequencies and at temperature varying from room temperature to 425°C. The dielectric constant increases with increase of temperature up to 400°C at all the t…
Ferroelectric and Piezoelectric MaterialsMultiferroics and related materialsMicrowave Dielectric Ceramics Synthesis
Natale Perchiazzi、Roberto Dragone、Nicola Demitri 等 5 位作者2018-04-04European Journal of Mineralogy
The crystal structure of kolwezite, (Cu,Co)2(CO3)(OH)2, has been refined by Rietveld \nmethod from synchrotron X-ray powder data. Kolwezite, P21/a, a = 12.201(1), b = \n9.354(1), c = 3.1494(3) Å, ß= 98.922(7)°, is isostructural with rosasite, and its crystal \nstructure was refined up to Rp = 4.56%, wRp =…
Crystal Structures and PropertiesX-ray Diffraction in CrystallographyMineralogy and Gemology Studies
L. Saqalli、M. Galai、N. Gharda 等 9 位作者2018-04-04International Journal of Electrochemical Science
The effect of hydroxyl group number of some anthraquinon derivatives 1,2,4-trihydroxyanthraquinone (purpurin) and 1,4-dihydroxyanthraquinone (quinizarin) on their corrosion inhibition efficiency has been reported in order to establish a relationship between inhibitor efficiency and molecular structure. Experimental st…
Corrosion Behavior and InhibitionHydrogen embrittlement and corrosion behaviors in metalsConcrete Corrosion and Durability
Marina Sirota、К. Г. Абдулвахидов、Andriy P. Budnyk 等 15 位作者2018-04-04Ferroelectrics
The Pb(Zr0.56Ti0.44)O3 (PZT) ceramics was subjected to a pressure-induced activation at 320 MPa in a Bridgman anvil, where a load pressure was combined with a shear deformation. The induced changes in the linear and angular parameters of a unit cell, in the ratio of coexisting rhombohedral (R3m) and tetragonal (P4mm)…
Ferroelectric and Piezoelectric MaterialsAdvanced ceramic materials synthesisMicrowave Dielectric Ceramics Synthesis
Ryohei Oyanagi、Taku Noda、Michiharu Ichikawa2018-04-04Electrical Engineering in Japan
SUMMARY When a transformer is energized, inrush currents whose magnitudes may reach tens of its nominal current occur. Since the inrush currents lead to a voltage drop, this may cause stops and malfunctions of electrical appliances. In addition, the overcurrents may cause an unnecessary operation of an overcurrent rel…
Power Quality and HarmonicsMagnetic Properties and ApplicationsNon-Destructive Testing Techniques
Li Chen、Yi He、Qiangbin Yang 等 7 位作者2018-04-04International Journal of Electrochemical Science
A novel glycine derivative, (9H-fluoren-9-yl) methyl (2-(heptadecyl amino)-2-oxoethylcarbamate (FMOC), was synthesized and investigated as a corrosion inhibitor for N80 carbon steel in a 3.5% sodium chloride solution using weight loss measurements, potentiodynamic polarization, and electrochemical impedance spectrosco…
Corrosion Behavior and InhibitionHydrogen embrittlement and corrosion behaviors in metalsConcrete Corrosion and Durability
Norinsan Kamil Othman、Emee Marina Salleh、Zulhusni Dasuki 等 4 位作者2018-04-04InTech eBooks
This research was focused on discovering the utilization of Dioscorea hispida (gadong tuber) starch as a potential green corrosion inhibitor for SAE 1045 carbon steel in 0.6 M NaCl media. Raw starch from gadong tubers was obtained through the extraction and precipitation process prior to drying in producing fresh star…
Corrosion Behavior and InhibitionHydrogen embrittlement and corrosion behaviors in metalsConcrete Corrosion and Durability
Shabnam Taheriniya、Sara Sadat Parhizgar、Amir Hossein Sari2018-04-04Results in Physics
To study the alumina template pore size distribution as a function of Al thin film grain size distribution, porous alumina templates were prepared by anodizing sputtered aluminum thin films. To control the grain size the aluminum samples were sputtered with the rate of 0.5, 1 and 2 Å/s and the substrate temperature wa…
Advanced ceramic materials synthesisSemiconductor materials and devicesAnodic Oxide Films and Nanostructures
William S. Y. Wong、Antonio Tricoli2018-04-04ACS Applied Materials & Interfaces
Despite the rapid advent of superomniphobic materials, there is a lack of methodologies to accurately investigate the ultralow-energy interactions taking place on these interfaces. For instance, universally employed models such as the pendant droplet often fail to provide representative information on the wetting prop…
Surface Modification and SuperhydrophobicityFluid Dynamics and Heat TransferPickering emulsions and particle stabilization
Leszek M. Malec、Marlena Gryl、Katarzyna Stadnicka2018-04-04Inorganic Chemistry
New nontoxic and biocompatible ferroelectric materials are a subject undergoing intense study. One of the most promising research branches is focused on H-bonded organic or hybrid ferroelectrics. The engineering of these materials is based on mimicking the phase transition mechanisms of the well-known inorganic ferroe…
Crystal Structures and PropertiesNonlinear Optical Materials ResearchSolid-state spectroscopy and crystallography
Aishling Dunne、Colm Delaney、Aoife McKeon 等 8 位作者2018-04-04Sensors
Micro-capillaries, capable of light-regulated binding and qualitative detection of divalent metal ions in continuous flow, have been realised through functionalisation with spiropyran photochromic brush-type coatings. Upon irradiation with UV light, the coating switches from the passive non-binding spiropyran form to…
Molecular Sensors and Ion DetectionPhotochromic and Fluorescence ChemistryPhotoreceptor and optogenetics research
Yue Sun、Donglin Liu、Qiang Li 等 7 位作者2018-04-04ACS Applied Materials & Interfaces
A tetragonal (Ba,Ca)(Zr,Ti)O 3 (BCZT) single crystal was grown by a flux method, and the piezoelectric coefficient ( d 33 ) was characterized. The piezoelectric response was proved to be associated with polarization extension, which was successfully used to explain the variation in d 33 * . From the intrinsic aspect,…
Ferroelectric and Piezoelectric MaterialsAcoustic Wave Resonator TechnologiesMicrowave Dielectric Ceramics Synthesis
H. Yurtseven、Ayhan Aslan2018-04-04Ferroelectrics
We calculate the Raman frequencies of the two stretching modes of as a function of temperature close to the paraelectric-ferroelectric transition (Tc = 270 K) in (CH3)2NH2Mg(HCOO)3 referred as DMMg. By assuming that the Raman frequencies of those two modes which exhibit anomalous behaviour near Tc due to the ordering…
Nonlinear Optical Materials ResearchAcoustic Wave Resonator TechnologiesSolid-state spectroscopy and crystallography
R. Casalini、C. M. Roland2018-04-04The Journal of Chemical Physics
Nonlinear dielectric measurements were carried out on two strongly polar liquids, 4-vinyl-1,3-dioxolan-2-one (VPC) and 4-ethyl-1,3-dioxolan-2-one (EPC), having chemical structures differing from propylene carbonate (PC) only by the presence of a pendant group. Despite their polarity, the compounds are all non-associat…
Liquid Crystal Research AdvancementsMaterial Dynamics and PropertiesThermodynamic properties of mixtures