Search results for "Note"

showing 10 items of 10709 documents

Electromechanical Properties of Ba(1–x)SrxTiO3 Perovskite Solid Solutions from First-Principles Calculations

2017

Many thanks to M. Maček-Kržmanc, R. A. Evarestov, D. Gryaznov and D. Fuks for fruitful discussions. This study was supported by the ERA-NET HarvEnPiez project.

ChemistryThermodynamics02 engineering and technology021001 nanoscience & nanotechnology01 natural sciencesPiezoelectricityFerroelectricityHybrid functionalTetragonal crystal systemComputational chemistryLinear combination of atomic orbitalsPhase (matter)0103 physical sciences:NATURAL SCIENCES:Physics [Research Subject Categories]Physical and Theoretical Chemistry010306 general physics0210 nano-technologyPerovskite (structure)Solid solution
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Pyrenyl substituted 1,8-naphthalimide as a new material for weak efficiency-roll-off red OLEDs: a theoretical and experimental study

2018

Based on the theoretical calculations of excited states and semiconducting properties, a new 1,8-naphthalimide derivative having an electron-donating 1-pyrenyl group at the C-4 position was designed and synthesized. This derivative exhibited an excellent thermal stability and bipolar charge carrier transport ability. It was successfully utilized as a host in red phosphorescent organic light-emitting diodes showing an efficient energy transfer from the host to the phosphorescent emitter. The derivative may be a single material electroplex-forming host for PhOLEDs. The best fabricated red emitting device demonstrated maximum current, power, and external quantum efficiencies of 10.8 cd A−1, 7 …

Chemistrybusiness.industry02 engineering and technologyGeneral Chemistry010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesCatalysis0104 chemical scienceschemistry.chemical_compoundExcited stateMaterials ChemistryOLEDOptoelectronicsCharge carrierThermal stability0210 nano-technologybusinessPhosphorescenceDerivative (chemistry)DiodeCommon emitterNew Journal of Chemistry
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Direct observation of the electroadsorptive effect on ultrathin films for microsensor and catalytic-surface control.

2013

Microchemical sensors and catalytic reactors make use of gases during adsorption in specific ways on selected materials. Fine-tuning is normally achieved by morphological control and material doping. The latter relates surface properties to the electronic structure of the bulk, and this suggests the possibility of electronic control. Although unusual for catalytic surfaces, such phenomena are sometimes reported for microsensors, but with little understanding of the underlying mechanisms. Herein, direct observation of the electroadsorptive effect by a combination of X-ray photoelectron spectroscopy and conductivity analysis on nanometre-thick semiconductor films on buried control electrodes …

Chemistrybusiness.industryDopingNanotechnologyElectronic structureConductivityAtomic and Molecular Physics and OpticsAdsorptionSemiconductorX-ray photoelectron spectroscopyElectrodePhysical and Theoretical ChemistryThin filmbusinessChemphyschem : a European journal of chemical physics and physical chemistry
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Combined theoretical and experimental analysis of processes determining cathode performance in solid oxide fuel cells

2013

Solid oxide fuel cells (SOFC) are under intensive investigation since the 1980's as these devices open the way for ecologically clean direct conversion of the chemical energy into electricity, avoiding the efficiency limitation by Carnot's cycle for thermochemical conversion. However, the practical development of SOFC faces a number of unresolved fundamental problems, in particular concerning the kinetics of the electrode reactions, especially oxygen reduction reaction. We review recent experimental and theoretical achievements in the current understanding of the cathode performance by exploring and comparing mostly three materials: (La,Sr)MnO3 (LSM), (La,Sr)(Co,Fe)O3 (LSCF) and (Ba,Sr)(Co,…

Chemistrybusiness.industryKineticsOxideGeneral Physics and AstronomyNanotechnologyCathodelaw.inventionsymbols.namesakeChemical energychemistry.chemical_compoundlawElectrodesymbolsOxygen reduction reactionFuel cellsPhysical and Theoretical ChemistryProcess engineeringbusinessCarnot cyclePhysical Chemistry Chemical Physics
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Application of infrared spectroscopy as Process Analytics Technology (PAT) approach in biodiesel production process utilizing Multivariate Curve Reso…

2019

Abstract Process Analytical Technology means at-line collection of analytical information from the process when the reaction is in progress. Obtained information enables process engineers to better control the Critical Process Parameters and direct the reaction to desirable routs. Near-infrared spectroscopy due to its analytical features, as well as the high capability of automation, versatile sampling and spectral acquisition methods is a useful tool in process monitoring when coupled to chemometrics. The Multiple Scatter Correction preprocessing technique and Alternative Least Square method can extract spectral and concentration information of a reaction mixture simultaneously, were emplo…

Chemistrybusiness.industryProcess analytical technologyNear-infrared spectroscopyProcess (computing)02 engineering and technologyWork in process010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesAutomationAtomic and Molecular Physics and Optics0104 chemical sciencesAnalytical ChemistryChemometricsBiodiesel production0210 nano-technologyBiological systembusinessSpectroscopyInstrumentationSpectroscopySpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
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"Though It Be but Little, It Is Fierce": Excited State Engineering of Conjugated Organic Materials by Fluorination.

2016

Fluorination is frequently used to significantly change the properties of conjugated organic materials due to fluorine’s exceptional properties; well-known is its impact on electronic structure, but it also impacts the geometry despite fluorine’s small size. Less known, the changes in the electronic and geometrical properties may provoke drastic changes of the excited state properties like batho- and hypsochromic shifts of absorption and emission bands (inter alia leading to excited state switching), hypo- and hyperchromic effects, spectral broadening, and changes of the nonradiative deactivation pathways. The state of the art on these issues is summarized in the current Perspective to stim…

Chemistrychemistry.chemical_element02 engineering and technologyElectronic structureConjugated system010402 general chemistry021001 nanoscience & nanotechnology01 natural sciences0104 chemical sciencesChemical physicsExcited stateFluorineOrganic chemistryGeneral Materials ScienceHypsochromic shiftPhysical and Theoretical Chemistry0210 nano-technologyAbsorption (electromagnetic radiation)Doppler broadeningThe journal of physical chemistry letters
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Reactivity and Structural Defects in Glaserite-Type Iron-Vanadates

2018

Chemistrychemistry.chemical_elementBarium02 engineering and technology010402 general chemistry021001 nanoscience & nanotechnology01 natural sciences0104 chemical sciencesInorganic ChemistryCrystallographyMössbauer spectroscopyX-ray crystallographyReactivity (chemistry)0210 nano-technologyThermal analysisZeitschrift für anorganische und allgemeine Chemie
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Catalytic conversion of glucose to 5-hydroxymethylfurfural over biomass-based activated carbon catalyst

2020

Abstract Selective and efficient dehydration of glucose to 5-hydroxymethylfurfural (HMF) has been widely explored research problem recently, especially from the perspective of more sustainable heterogeneous catalysts. In this study, activated carbon was first produced from a lignocellulosic waste material, birch sawdust. Novel heterogeneous catalysts were then prepared from activated carbon by adding Lewis or Bronsted acid sites on the carbon surface. Prepared catalysts were used to convert glucose to HMF in biphasic water:THF system at 160 °C. The highest HMF yield and selectivity, 51% and 78%, respectively, were obtained in 8 h with a catalytic mixture containing both Lewis and Bronsted a…

Chemistrychemistry.chemical_elementBiomass02 engineering and technologyGeneral Chemistry010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesCatalysis0104 chemical sciencesCatalysisvisual_artYield (chemistry)medicinevisual_art.visual_art_mediumOrganic chemistrySawdust0210 nano-technologySelectivityBrønsted–Lowry acid–base theoryCarbonActivated carbonmedicine.drugCatalysis Today
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"Sweet Chemistry": a Green Way for Obtaining Selenium Nanoparticles Active against Cancer Cells

2017

We present an environment friendly synthesis of selenium nanoparticles and the study of their cytotoxic activity against uterine sarcoma cancer and fibroblasts cells. Amorphous selenium (a-SeNPs) and trigonal selenium (t-SeNPs) were synthesized using D-fructose as the reducing agent and characterized by high-resolution transmission electron microscopy (HRTEM), energy-dispersive X-ray spectroscopy (EDX), powder X-ray diffraction analysis (XRD), inductively coupled plasma optical emission spectrometry (ICP OES), dynamic light scattering (DLS) to obtain zeta potential values and cyclic voltammetry (CV). Particularly, a-SeNPs presented high toxicity toward the resistant cancer cell line MES-SA/…

Chemistrygreen chemistryInorganic chemistrychemistry.chemical_element02 engineering and technologyGeneral ChemistryD-fructose010402 general chemistry021001 nanoscience & nanotechnology01 natural sciences0104 chemical sciencesDynamic light scatteringTransmission electron microscopyInductively coupled plasma atomic emission spectroscopyselenium nanoparticlesZeta potentialcancer cellscytotoxicityCyclic voltammetryInductively coupled plasma0210 nano-technologyHigh-resolution transmission electron microscopySelenium
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UV Filters in Sunscreens and other Cosmetics. Regulatory Aspects and Analytical Methods

2007

Chemistrymedia_common.quotation_subjectNanotechnologyCosmeticsmedia_common
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