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rational molecular design of efficient yellow-red dendrimer TADF for solution-processed OLEDs: a combined effect of substitution position and strength of the donors

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Science China Chemistry 2024年第5期67卷 1613-1623页

作者： Changfeng si Dianming Sun Tomas matulaitis David b.Cordes Alexandra m.Z.Slawin Eli Zysman-Colman Organic Semiconductor Centre EaStCHEM School of ChemistryUniversity of St AndrewsSt AndrewsKY169STUK

The development of high-performance solution-processed red organic light-emitting diodes(OLEDs) remains a challenge,particularly in terms of maintaining efficiency at high luminance. Here, we designed and synthesized four novel orange-red thermally activated delayed fluorescence(TADF) dendrimers that are solution-processable: 2GCz bp, 2DpACz bp, 2Fbp2GCz and 2Fbp2DpACz. We systematically investigated the effect of substitution position and strength of donors on the optoelectronic properties. The reverse intersystem crossing rate constant(kRISC) of the emitters having donors substituted at positions 11and 12 of the dibenzo[a,c]phenazine(bp) is more than 10-times faster than that of compounds substituted having donors substituted at positions 3 and 6. Compound 2DpACz bp, containing stronger donors than 2GCz bp, exhibits a red-shifted emission and smaller singlet-triplet energy splitting, ΔE_(ST), of 0.01 e V. The solution-processed OLED with 10 wt% 2DpACz bp doped in m Cp emitted at 640 nm and showed a maximum external quantum efficiency(EQE_(max)) of 7.8%, which was effectively maintained out to a luminance of 1,000 cd m-2. Such a device's performance at relevant display luminance is among the highest for solution-processed red TADF OLEDs. The efficiency of the devices was improved significantly by using 4Cz IpN as an assistant dopant in a hyperfluorescence(HF) configuration, where the 2DpACz bp HF device shows an EQEmaxof 20.0% at λEL of 605 nm and remains high at 11.8% at a luminance of 1,000 cd m-2, which makes this device one of the highest efficiency orange-to-red HF Sp-OLEDs to date.

关键词： thermally activated delayed fluorescence solution-processing red OLEDs dibenzo[a,c]phenazine dendrimers

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Soils in extraterrestrial space: Need for studies under microgravity

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pedosphere 2024年第1期34卷 13-14页

作者： m.b.KIRKHAm Department of Agronomy Kansas State UniversityManhattan KS 66506USA

With the increased interest of plants in space, gravity cannot be ignored when studying soil-plant-water relations. Therefore, it is important to understand the water relations of soils under zero gravity in space or under reduced gravity on the moon or mars. This paper outlines the problems of moving water in soils under zero gravity or microgravity, as well as growing plants in these soils. It is suggested that microgravity experiments could be done on Earth using both soils and plants. Results from such experiments could be used to grow plants when mankind establishes bases on the moon and mars.

关键词： soils soil bases

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Ferroelectricity Induced by Oxygen Vacancies in Rhombohedral ZrO_(2) Thin Films

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Energy & Environmental materials 2024年第1期7卷 229-237页

作者： Veniero Lenzi José p.b.silva břetislav Šmíd Vladimir matoín Cosmin m.Istrate Corneliu Ghica Judith L.macmanus-Driscoll Luís marques physics Center of minho and porto Universities(CF-um-Up) University of MinhoCampus de Gualtar 4710-057Braga Portugal Laboratory of physics for materials and Emergent Technologies LapMETUniversity of Minho4710-057Braga Portugal Department of Surface and plasma Science Faculty of Mathematics and PhysicsCharles UniversityV Holešovičkách 218000Prague 8 Czech Republic National Institute of materials physics 105 bis Atomistilor 077125Magurele Romania Department of materials Science and metallurgy 27 Charles Babbage Rd.Cambridge CB3 OFSUK

Rhombohedral phase Hf_(x)Zr_(1.x)O_(2)(HZO,x from.0 to 1)films are promising for achieving robust ferroelectric polarization without the need for an initial wake-up pre-cycling,as is normally the case for the more commonly studied orthorhombic ***,a large spontaneous polarization observed in rhombohedral films is not fully understood,and there are also large discrepancies between experimental and theoretical *** this work,in rhombohedral ZrO_(2)thin films,we show that oxygen vacancies are not only a key factor for stabilizing the phase,but they are also a source of ferroelectric polarization in the *** is shown experimentally through the investigation of the structural properties,chemical composition and the ferroelectric properties of the films before and after an annealing at moderate temperature(400℃)in an oxygen environment to reduce the V_(o)concentration *** experimental work is supported by density functional theory(DFT)calculations which show that the rhombohedral phase is the most stable one in highly oxygen defective ZrO_(2)*** DFT calculations also show that V_(o)contribute to the ferroelectric *** findings reveal the importance of V_(o)for stabilizing rhombohedral ZrO_(2)thin films with superior ferroelectric properties.

关键词： charged defects ferroelectric polarization rhombohedral phase stability zirconia

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Quantum correlations and entanglement in coupled optomechanical resonators with photon hopping via Gaussian interferometric power analysis

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Chinese physics b 2024年第5期33卷 204-211页

作者： Y.Lahlou b.maroufi m.Daoud LpHE-mS Department of PhysicsFaculty of SciencesMohammed V UniversityRabatMorocco LpmS Department of PhysicsFaculty of SciencesIbn Tofail UniversityKénitraMorocco

Quantum correlations that surpass entanglement are of great importance in the realms of quantum information processing and quantum ***,for quantum systems prepared in pure states,it is difficult to differentiate between quantum entanglement and quantum ***,this indistinguishability is no longer holds for mixed *** contribute to a better understanding of this differentiation,we have explored a simple model for both generating and measuring these quantum *** study concerns two macroscopic mechanical resonators placed in separate Fabry–pérot cavities,coupled through the photon hopping *** system offers a comprehensively way to investigate and quantify quantum correlations beyond entanglement between these mechanical *** key ingredient in analyzing quantum correlation in this system is the global covariance *** forms the basis for computing two essential metrics:the logarithmic negativity(E_(N)^(m))and the Gaussian interferometric power(p_(G)^(m)).These metrics provide the tools to measure the degree of quantum entanglement and quantum correlations,*** study reveals that the Gaussian interferometric power(p_(G)^(m))proves to be a more suitable metric for characterizing quantum correlations among the mechanical modes in an optomechanical quantum system,particularly in scenarios featuring resilient photon hopping.

关键词： quantum correlations entanglement Gaussian interferometric power logarithmic negativity optomechanics photon hopping

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Direct microwave leaching conditions of rare earth elements in fluorescent wastes

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Journal of rare Earths 2024年第6期42卷 1165-1174,I0007页

作者： A.bilen b.birol m.N.Saridede S.S.Kaplan m.S.Sonmez Department of metallurgical and materials Engineering Yildiz Technical UniversityIstanbulTurkey Department of Chemical Engineering and materials Science Stevens Institute of TechnologyNew JereyUSA Department of metallurgical and materials Engineering Istanbul Technical UniversityIstanbulTurkey

The luminescent phosphor powder in the fluorescent lamp constitutes 2%of the lamp’s *** can be mentioned that fluorescent wastes are a crucial raw material to produce rare earth *** the present study,microwave leaching process was conducted to dissolve rare earth elements yttrium(Y),europium(Eu),and remaining rare earth elements(REEs)present in the phosphor powder of the fluorescent *** the yields were *** the microwave leaching process,the effects of the temperature(80-160℃),acid type(hydrochloric acid(HCl),nitric acid(HNO_(3)),sulphuric acid(H_(2)SO_(4))),acid concentration(0.5-6 mol/L),solid to liquid ratio(0.1:10-0.5:10)and reaction time(5-90 min)parameters on leaching efficiencies of varying rare earth elements and calcium were *** highest yield was obtained in the direct microwave leaching of fluorescent waste with the experimental conditions of 6 mol/L HCl,160℃,0.1:10 solid-to-liquid ratio(S:L),and 90 *** energy calculations were made,and kinetic models of the reactions were obtained,and it is observed that Y and Eu dissolution is diffusion-controlled,on the other hand,lanthanum(La),cerium(Ce),and terbium(Tb)were examined to be chemical reaction ***,calcium(Ca)and gadolinium(Gd)seem coherent with the mixed ***,mathematical models of all experimental studies are created with the response surface box-behnken method and the correlation coefficients of all the models are over 90%.

关键词： rare earth elements(REEs) Direct microwave leaching Fluorescent waste Kinetic models Response surface method

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Tensile deformation of fine-grained mg at 4K,78K and 298K

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Journal of magnesium and Alloys 2024年第6期12卷 2534-2556页

作者： m.Walag A.Kula p.Noga T.Tokarski G.Cios m.Niewczas AGH University of Krakow Faculty of Non-Ferrous MetalsKrakowPoland AGH University of Krakow Academic Centre for Materials and NanotechnologyKrakowPoland materials Science and Engineering McMaster UniversityHamiltonCanada

The impact of grain size, ranging from.0.9 μm to 9 μm, on the mechanical properties of commercially pure mg is investigated at temperatures of 4K, 78K, and 298K. The mechanisms governing plastic flow are influenced by both grain size and temperature. At 4K and 78K, dominant deformation modes in mg involve dislocation glide and extension twinning, regardless of grain size. The interactions between basal and non-basal dislocations and dislocations with grain boundaries promote an unusually high rate of work hardening in the plastic regime, leading to premature failure. The yield stress follows the Hall-petch relationship σy~ k/√d, with the slope k increasing with decreasing temperature. At 298K, in addition to dislocation glide and twinning, grain boundary sliding(GbS) becomes significant in samples with grain sizes below 3 μm, considerably enhancing the material's deformability. GbS activation provides an additional recovery mechanism for dislocations accumulating at grain boundaries, facilitating their absorption during sliding and rotation. Analysis of σ Θ relationship suggests that the basal slip is the dominant dislocation mode in mg at 298K. Decreasing grain size suppresses dislocation activity and twinning and increases GbS, resulting in lower Θ and σ Θ values. Suppressing conventional deformation modes coupled with enhanced GbS yields stress softening, breaking down the Hall-petch relationship in mg below 3 μm grain size, leading to an inverse Hall-petch behaviour. The work reports new data on the strength, ductility, work hardening and fracture behaviour, and their variations with mg grain size across different temperature regimes.

关键词： polycrystalline mg mechanical properties Deformation mechanisms Work-hardening Texture evolution Cryogenic temperatures Hall-petch relationship

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Semi-analytical investigation of heat transfer in a porous convective radiative moving longitudinal fin exposed to magnetic field in the presence of a shape-dependent trihybrid nanofluid

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Applied mathematics and mechanics(English Edition) 2024年第1期45卷 197-216页

作者： C.G.pAVITHra b.J.GIREESHA m.L.KEERTHI Department of pG Studies and Research in mathematics Kuvempu UniversityShankaraghatta 577451India Department of mathematics and Statistics M.S.Ramaiah University of Applied SciencesBengaluru 560058India

The thermal examination of a non-integer-ordered mobile fin with a magnetism in the presence of a trihybrid nanofluid(Fe_3O_4-Au-Zn-blood) is carried out. Three types of nanoparticles, each having a different shape, are considered. These shapes include spherical(Fe_3O_4), cylindrical(Au), and platelet(Zn) configurations. The combination approach is utilized to evaluate the physical and thermal characteristics of the trihybrid and hybrid nanofluids, excluding the thermal conductivity and dynamic viscosity. These two properties are inferred by means of the interpolation method based on the volume fraction of nanoparticles. The governing equation is transformed into a dimensionless form, and the Adomian decomposition Sumudu transform method(ADSTm) is adopted to solve the conundrum of a moving fin immersed in a trihybrid nanofluid. The obtained results agree well with those numerical simulation results, indicating that this research is reliable. The influence of diverse factors on the thermal overview for varying noninteger values of γ is analyzed and presented in graphical representations. Furthermore, the fluctuations in the heat transfer concerning the pertinent parameters are studied. The results show that the heat flux in the presence of the combination of spherical, cylindrical, and platelet nanoparticles is higher than that in the presence of the combination of only spherical and cylindrical nanoparticles. The temperature at the fin tip increases by 0.705 759% when the value of the peclet number increases by 400%, while decreases by 11.825 13% when the value of the Hartman number increases by 400%.

关键词： convection radiation moving longitudinal fin Adomian decomposition Sumudu transform method(ADSTm) trihybrid nanofluid magnetic field

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Elucidating the Degradation pathways of Human Insulin in the Solid State

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Journal of Analysis and Testing 2024年第03期8卷 288-299页

作者： Andrew Fagan Lorraine m.bateman Joseph p.O'Shea Abina m.Crean SSpC the SFI Centre for Pharmaceutical Research School of Pharmacy University College Cork School of pharmacy University College Cork Analytical and biological Chemistry Research Facility (AbCRF) University College Cork School of Chemistry University College Cork

While there have been significant advances in the development of peptide oral dosage forms in recent years, highlighted by the clinical and commercial success of approved peptides such as Rybelsus?, there remain several barriers in the way of broad range applicability of this approach to peptide delivery. One such barrier includes the poor physical and chemical stability inherent to their structures, which persists in the solid state although degradation typically occurs at different rates and via different pathways in comparison to the solution state. Using insulin as a model peptide, this work sought to contribute to the development of analytical techniques for investigating common insulin degradation pathways. Chemically denatured,deamidated and aggregated samples were prepared and used to benchmark circular dichroism spectroscopy, reverse phase HpLC and size exclusion chromatography methods for the investigation of unfolding, chemical modifications and covalent aggregation of the insulin molecule respectively. Solid state degraded samples were prepared by heating insulin powder at 60 °C and 75% relative humidity for 1, 3, 5 and 7 d, and the degradation profiles of the samples were evaluated and compared with those observed in solution. While no unfolding was observed to occur, significant deamidation and covalent aggregation were detected. Reductive disulfide bond cleavage using dithiothreitol allowed for separation of the insulin A-and b-chains,offering a facile yet novel means of assessing the mechanisms of deamidation and covalent aggregation occurring in the solid state.

关键词： biopharmaceutical analysis Covalent aggregation Deamidation Disulfide cleavage Insulin Solid state Stability

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Carbon monoxide as C1 building block in Fine Chemical Synthesis

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Chinese Journal of Chemistry 2024年第2期42卷 199-221页

作者： Rui m.b.Carrilho mario J.F.Calvete Gabor mikle Laszlo Kollar mariette m.pereira University of Coimbra Coimbra Chemistry CentreDepartment of ChemistryRua Larga3004-535 CoimbraPortugal Department of General and Inorganic Chemistry and ELKH-pTE Research Groupfor Selective Chemical Syntheses University of PecsIfjusag utja 6H-7624 PecsHungary

Carbon monoxide(CO)has become one of the most relevant and versatile renewable C1 building blocks for chemical synthesis,especially in the fine chemicals industry,due to the development of efficient and selective catalysts for its *** this review,we present a comprehensive critical analysis of the last 10 years literature on the use of CO as a renewable feedstock for fine chemicals *** review is organized by type of catalytic reaction,namely alkene and alkyne carbonylation,hydroformylation,carbonylation of aryl halides,carbonylative cross-coupling and C-H *** examples of the synthesis of relevant building blocks and/or known pharmaceuticals are *** is placed on examples of utilizing CO as the C1 building block in one or more catalytic *** catalyst used and the reaction conditions are consistently presented throughout all of the examples.

关键词： Carbon monoxide Fine chemicals Carbonylation Hydroformylation C-H functionalization

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multiple scales method for analyzing a forced damped rotational pendulum oscillatorwithgallows

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Communications in Theoretical physics 2024年第5期76卷 58-67页

作者： Haifa A Alyousef Alvaro H Salas b m Alotaibi S A El-Tantawy Department of physics College of SciencePrincess Nourah bint Abdulrahman UniversityP.O.Box 84428Riyadh 11671Saudi Arabia Department of mathematics and Statistics Universidad Nacional de ColombiaFIZMAKO Research GroupColombia Department of physics Faculty of SciencePort Said UniversityPort Said 42521Egypt Research Center for physics(RCp) Department of PhysicsFaculty of Science and ArtsAl-MikhwahAl-Baha UniversityAl-Baha 1988Saudi Arabia

This study reports the analytical solution for a generalized rotational pendulum system with gallows and periodic excited *** multiple scales method(mSm)is applied to solve the proposed *** types of rotational pendulum oscillators are studied and talked about in *** include the forced damped rotating pendulum oscillator with gallows,the damped standard simple pendulum oscillator,and the damped rotating pendulum oscillator without *** mSm first-order approximations for all the cases mentioned are derived in *** obtained results are illustrated with concrete numerical *** first-order mSm approximations are compared to the fourth-order Runge-Kutta(RK4)numerical ***,the maximum error is estimated for the first-order approximations obtained through the mSm,compared to the numerical approximations obtained by the RK4 ***,we conducted a comparative analysis of the outcomes obtained by the used method(mSm)and He-mSm to ascertain their respective levels of *** proposed method can be applied to analyze many strong nonlinear oscillatory equations.

关键词： rotational pendulum system multiple scales method approximate solution damped oscillations forced pendulum with gallows he-multiple scales method

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