简介:目的:探索1T-MoS2(多型结构的二硫化钼)的除汞机制。方法:1.采用密度泛函理论(DFT)分析Hg~0在1T-MoS_2单层上的吸附机理。2.考察1T-MoS_2的不同吸附位置。3.对不同的吸附构型,研究电子吸附前后的变化,从而进一步了解吸附过程。结论:1.化学吸附是Hg原子与1T-MoS_2单层吸附的主导因素。同时,在所有可能的吸附位置中,T_(Mo)(在钼原子上方)的位置是最强烈的吸附构型。2.汞(Hg)原子在1T-MoS_2单层上的吸附受邻近的硫(S)和钼(Mo)原子的影响。3.吸附的汞(Hg)原子在1T-MoS_2的Tmo位置上会被氧化,其吸附能为-1.091eV。4.从局部态密度(PDOS)分析来看,Hg原子和1T-MoS_2表面之间的相互作用是由汞(Hg)原子的d轨道与硫(S)原子的s轨道及钼(Mo)原子的p轨道和d轨道重叠所致。
简介:Thesingle-shotspiralmagneticresonanceimaging(MRI)techniquewasimplementedandoptimizedonaBrukerBiospec47/30scanner.Thetechniqueincludesthepulsesequenceforgenerationanddetectionofthek-spaceMRIsignal(freeinductiondecay(FID)),andPC-basedprogramsforthedatagridandimagereconstruction.Thetemporalresolutionis70ms(14imagespersecond),whichconsistsofadataacquisitiontimeasshortas13.7ms,aspin-echotimeof13.6msandamagnetizationrecoverytimeof43ms.Thismakesitpossibletotakereal-timeimagesofmovingobjects.Thetechniqueisdemonstratedusingapendulum(tube)filledwithwater.
简介:theAlternatingSegmentCrank-Nicolsonschemeforone-dimensionaldiffusionequationhasbeendevelopedin[1],andtheAlternatingBlockCrank-Nicolsonmethodfortwo-dimensionalproblemin[2].Themethodshavetheadvantagesofparallelcomputing,stabilityandgoodaccuracy.Inthispaperforthetwo-dimensionaldiffusionequation,thenetregionisdividedintobands,aspecialkindofblock.ThismethodiscalledthealternatingBandCrank-Nicolsonmethod.
简介:Theoptimalconditionsforthecomplexationreactionofmeso-tetra(3-methoxy-4-hy-droxyphenyl)porphineT(3-M-4HP)Pwithplatinumandrhodiumarepresented.Beer’sLawisobeyedwhentheconcentrationofrhodiumisintherangeof0.45-1.15μg/25mL.Themolarabsorptivityofrhodiumwasfoundtobe1.99×106L·mol-1·cm-1at460nm.ThevalueofεPtwasfoundtobe6.28×105L·mol-1·cm-1bylinearregressionmethod.TheKcoefficientmethodandcompensatingcoefficientwereusedtodetermineplatinumandrhodiumsimultaneoulywithoutremovalormaskingoftheinterferentsinthesample.Theresultsforthedeterminationofplatinumandrhodiuminthemixedsolutionofplatinumandrhodiumaresatisfactory.
简介:传统的应用稳定性理论对横流不稳定性转捩现象的预测很难与现代CFD并行化计算结合,为了解决这个问题,文章基于SA-γ-—Re_(θt)转捩模型,使用不可压三维边界层相似性解实现横流位移损失厚度Reynolds数在流场中的当地化求解,结合亚音速试验数据-C1准则构建横流不稳定性转捩判据,从而实现了横流不稳定性转捩预测方法的当地化并行求解.首先采用SA-γ-—Re_(θt)转捩模型对NLF(1)-0416翼型进行了流向转捩预测,证实了该模型的正确性.然后应用所建立的横流转捩模型对45°前缘后掠角的NLF(2)-0415无限展长机翼和DLR-F5机翼,以及标准6∶1椭球标模进行了横流不稳定转捩数值模拟,计算结果显示转捩位置均与试验数据吻合较好,证明了文章所建立的方法在不可压边界层转捩预测具有较高的预测精度.
简介:Ultrafastfiberlasersareingreatdemandforvariousapplications,suchasopticalcommunication,spectroscopy,biomedicaldiagnosis,andindustrialfabrication.Here,wereportthehighlystablefemtosecondpulsegenerationfromaMXenemode-lockedfiberlaser.Wehavepreparedthehigh-qualityTi3C2Txnanosheetsviatheetchingmethod,andcharacterizedtheirultrafastdynamicsandbroadbandnonlinearopticalresponses.Theobviousintensity-andwavelength-dependentnonlinearresponseshavebeenobservedandinvestigated.Inaddition,ahighlystablefemtosecondfiberlaserwithsignal-to-noiseratioupto70.7dBandcentralwavelengthof1567.3nmhasbeendelivered.Thestudymayprovidesomevaluabledesignguidelinesforthedevelopmentofultrafast,broadbandnonlinearopticalmodulators,andopennewavenuestowardadvancedphotonicdevicesbasedonMXenes.
简介:Toconsidertheanisotropicdamageinfatigue,animprovedboom-panelmodelispresentedtosimulatearepresentativevolumeelement(RVE)intheframeworkofcontinuumdamagemechanics.TheanisotropicdamagestateoftheRVEisdescribedbythecontinuityextentsofboomsandpanels,whosedamageevolutionsareassumedtobeisotropic.Thenumericalimplementationisproposedonthebasisofdamagemechanicsandthefiniteelementmethod.Finally,theapproachisappliedtothefatiguelifepredictionof2A12-T4aluminiumalloyspecimenundercyclicloadingoftension-torsion.Theresultsindicateagoodagreementwiththeexperimentaldata.
简介:Halfsandwichirondicarbonylcomplex[η5-C5H3(t-Bu)2]Fe(CO)2Cl(1)reactswith1,2-dilithiumdiselenocarboraneLi2Se2C2B10H10(2)togiveabinuclearironcarboranecomplex[η5-C5H3(t-Bu)2]2Fe2(CO)3*Se2C2B10H10(3).TheX-raydiffractionanalysisofcomplex3revealsthatoneoftheironatomsischiral.