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  • 简介:Directphotontochemicalenergyconversionusingsemiconductor–electrocatalyst–electrolyteinterfaceshasbeenextensivelyinvestigatedformorethanahalfcentury.Manystudieshavefocusedonscreeningmaterialsforefficientphotocatalysis.Photocatalyticefficiencyhasbeenimprovedduringthisperiodbutisnotsufficientforindustrialcommercialization.Detailedelucidationonthephotocatalyticwatersplittingprocessleadstoconsecutivesixreactionstepswiththefundamentalparametersinvolved:Thephotocatalysisisinitiatedinvolvingphotophysicsderivedfromvarioussemiconductorproperties(1:photonabsorption,2:excitonseparation).Thegeneratedchargecarriersneedtobetransferredtosurfaceseffectivelyutilizingtheinterfaces(3:carrierdiffusion,4:carriertransport).Consequently,electrocatalysisfinishestheprocessbyproducingproductsonthesurface(5:catalyticefficiency,6:masstransferofreactantsandproducts).Successfulphotocatalyticwatersplittingrequirestheenhancementofefficiencyateachstage.Mostcritically,afundamentalunderstandingoftheinterfacialphenomenaishighlydesiredforestablishing'photocatalysisbydesign'concepts,wherethekineticbottleneckwithinaprocessisidentifiedbyfurtherimprovingthespecificpropertiesofphotocatalyticmaterialsasopposedtoblindmaterialscreening.Theoreticalmodelingusingtheidentifiedquantitativeparameterscaneffectivelypredictthetheoreticallyattainablephoton-conversionyields.Thisarticleprovidesanoverviewofthestate-of-the-arttheoreticalunderstandingofinterfacialproblemsmainlydevelopedinourlaboratory.Photocatalyticwatersplitting(especiallyhydrogenevolutiononmetalsurfaces)wasselectedasatopic,andthephotophysicalandelectrochemicalprocessesthatoccuratsemiconductor–metal,semiconductor–electrolyteandmetal–electrolyteinterfacesarediscussed.

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  • 简介:原子的电的偶极子polarizabilities在许多不同物理应用是很重要的,例如精确原子频率标准。这些性质的计算很重要、挑战性。我们建议计算策略由使用电子关联能足够地被考虑的一套高质量的轨道的底变化地与高精确计算频率依赖者偶极子polarizabilities。Na的扎根的状态的静态的polarizabilities被如此的一个方法精确地计算并且能直接与精确实验测量相比。计算结果在对在大约0.1%以内的可得到的试验性的大小的优秀同意,它表明我们的策略的有效性。我们的计算策略有一个宽用法,不是仅仅在polarizibilies,而且在象散布的电子原子的理论处理那样的另外的地里处理。用一样的轨道的底,我们执行Na的精确计算[?]亲密关系。我们的计算亲密关系在对在0.1%以内的精确激光光谱学大小的优秀同意。[从作者抽象]

  • 标签: 计算结果 原子频标 极化率 物理量 电子相关性 物理应用
  • 简介:Theco-existenceoftheRamanandBrillouinbackscatteringinstabilityisanimportantissueforinertialconfinementfusion.Thepresentpaperpresentsextensiveone-dimensional(1D)particle-in-cell(PIC)simulationsforawiderangeofparametersextendingandcomplementingpreviousfindings.PICsimulationsshowthatthescenarioofreflectivityevolutionandsaturationisverysensitivetothetemperatures,intensities,sizeofplasmaandboundaryconditionsemployed.TheLangmuirdecayinstabilityisobservedforrathersmallkepwλDbuthasnoinfluenceonthesaturationofBrillouinbackscattering,althoughthereisaclearcorrelationofLangmuirdecayinstabilitymodesandion-fractionaldecayforcertainparameterranges.Ramanbackscatteringappearsatanyintensityandtemperaturebutisonlyatransientphenomenon.InseveralconfigurationsforwardaswellasbackwardRamanscatteringisobserved.Fortheintensitiesconsidered,Iλo2above1015Wμm2/cm2,Ramanisalwaysofburstynature.Aparticularsetupallowsthesimulationofmulti-speckleaspectsinwhichcaseitisfoundthatRamanisself-limitingduetostrongmodificationsofthedistributionfunction.KineticeffectsareofprimeimportanceforRamanbackscatteringathightemperatures.NouniquescenarioforthesaturationofRamanscatteringorRaman–Brillouincompetitiondoesexist.ThemaineffectintheconsideredparameterrangeispumpdepletionbecauseoflargeBrillouinbackscattering.However,inthelowkepwλDregimethepresenceofion-acousticwavesduetotheLangmuirdecayinstabilityfromtheRamancreatedelectronplasmawavescanseedtheion-fractionaldecayandaffecttheBrillouinsaturation.

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  • 简介:在哪儿在核物理学研究触发了一个新时代,在铁以外的重元素什么时候,并且怎么充实我们的宇宙的待研究的问题。所有相关核物理学输入,很充满中子的核种的团是为在铁以外揭示重元素的起源的关键数量。尽管这个性质的精确决心是大挑战,庞大的进步在最近的十年被取得了,并且它显著地作出贡献到原子结构和天体物理学的nucleosynthesis研究。在这评论,我们首先调查我们原子集体表面的现在的知识,强调在r过程计算的原子集体精确的重要性。我们然后与一些选择例子在原子集体测量的各种各样的方法讨论最近的进步。为每个方法,我们集中于最近的突破并且讨论改进称r过程核种的可能的方法。

  • 标签: 丰中子核素 核质量 精密测量 核合成 重金属元素 公开问题