简介:应用密度泛函理论DFT方法,在B3LYP/6—311G(d,p)水平上研究了不饱和类锗烯H2C=GeNaBr的结构及异构化反应.结果表明,不饱和类锗烯H2C=GeNaB。有3种平衡构型,其中非平面的p-配合物型构型能量最低,是其存在的主要构型.并对平衡构型间异构化反应的过渡态进行了计算,求得了转化势垒,预言了最稳定构型的振动频率和红外强度.
简介:WereportonN-dopedp-typeZnOfilmswiththec-axisparalleltothesubstrate.ZnOfilmswerepreparedonana-Al2O3(0001)substratebysolid-sourcechemicalvapourdeposition(CVD),Zn(CH3COO)2.2H2OwasusedastheprecursorandCH3COONH4asthenitrogensource.Thegrowthtemperaturewasvariedfrom300℃to600℃,theas-grownZnOfilmdepositedat500℃showedp-typeconductionwithitsresistivityof42Ωcm,carrierdensity3.7×10^17cm^-3andHallmobility1.26cm^2V^-1.s^-1atroomtemperature,whicharethebestpropertiesforp-typeZnOdepositedbyCVD.Thep-typeZnOfilmpossessesatransmittanceofabout85%inthevisibleregionandabandgapof3.21eVatroomtemperature.
简介:Quartzcrystalmicrobalance(QCM)andcyclicvoltammetry(CV)wereusedtocharacterizethemonolayerofcytochromec(Cytc),whichwasadsorbedongoldfilmmodifiedwithalkanethiolmixedmonolayer.AdirectcomparisonofproteinsurfacecoveragescalculatedfromQCMandcyclicvoltammetricmeasurementsillustratesthattheratiooftheelectroactiveCytctothetotalsurface-confinedCytcis34%,whichsuggeststhattheorientationisamainfactoraffectingtheelectroactivityofCytc.Moreover,surfaceplasmonresonance(SPR)measurementcombinedwithCV'insitu'wasusedtoinvestigatetheconformationalchangeofCytcintheredoxprocess.Besides,Aunanoparticles(AuNPs)wereadsorbedonthesurfaceofCytc.TheresultindicatesthatAuNPspromoteelectrontransferbetweenCytcandthegoldelectrode,andSPRresultsuggestsAuNPsenhanceSPRsignal.
简介:Thetitlecomplexi-C4H9Co(salen)(Py)(Py=pyridine.salen=dianionofdisalicylideneethylenediamine)hasbeenfirstsynthesized.ItscrystalstructurehasbeendeterminedbyX-raydiffractionmethod.ThecrystsisaremonoclinicwithspacegroupP21/C.Theunitcellparametesarepresented.ThestructurehasbeenrefinedtoafinalRof0.038.
简介:定义在C^n中具有逐块光滑边界的有界域上光滑函数的一种积分表示,这种积分表示的特点是积分式中含有局部的全纯核,且含有可供任意选择的实参数p,2≤p<+∝,利用这个公式,我们可获得有界域上-↑a-方程的局部解和证明在含参数局部意义下存在一致估计。
简介:采用铜(Ⅱ)盐和3,5-二氯水杨醛缩丝氨酸以及4,4′-联吡啶在乙醇水溶液中合成了具有二维层状的配位聚合物.通过元素分析、红外光谱对该配位聚合物进行了表征,并利用X射线单晶衍射仪对其结构进行了鉴定.晶体结构表明,该标题配合物属三斜方晶系,空间群C2/c,晶胞参数为a=2.711(3)nm,b=2.711(3)nm,c=4.977(5)nm;α=90.00°,β=90.00°,γ=120.00°,V=3.1678nm^3,Z=18,Dc=1.173g·cm^-3,F(000)=11448,μ=0.807mm-1,R1=0.0788,wR2=0.1872.
简介:Tetrabutylammoniumorpotassiumsaltsoforganometalllicderivativesoflacunarypolyanion(RM)3P2W15O59^n-(RM=CpTi,CpZr,C4H7O2SnorC5H9O2Sn)havebeenpreparedandstructurallycharacterizedbyelementalanalysis,IR,UV-Vis,^1HNMRand^183WNMRspectroscopies.Thetitlecomplexesexhibitantitumoractivityinvitro.
简介:Pt/WO3/CnanocompositeswithparallelWO3nanorodsweresynthesizedandappliedasthecathodecatalystforprotonexchangemembranefuelcells(PEMFCs).Electrochemicalresultsandsinglecelltestsshowthatanenhancedactivityfortheoxygenreductionreaction(ORR)isobtainedforthePt/WO3/CcatalystcomparedwithPt/C.ThehighercatalyticactivitymightbeascribedtotheimprovedPtdispersionwithsmallerparticlesizes.ThePt/WO3/Ccatalystalsoexhibitsagoodelectrochemicalstabilityunderpotentialcycling.Thus,thePt/WO3/CcatalystcanbeusedasapotentialPEMFCcathodecatalyst.
简介:ThisstudyshowsthepreparationofaTiO_2coatedPt/C(TiO_2/Pt/C)byatomiclayerdeposition(ALD),andtheexaminationofthepossibilityforTiO_2/Pt/Ctobeusedasadurablecathodecatalystinpolymerelectrolytefuelcells(PEFCs).CyclicvoltammetryresultsrevealedthatTiO_2/Pt/Ccatalystwhichhas2nmprotectivelayershowedsimilaractivityfortheoxygenreductionreactioncomparedtoPt/Ccatalystsandtheyalsohadgooddurability.TiO_2/Pt/Cpreparedby10ALDcyclesdegraded70%after2000Accelerateddegradationtest,whilePt/Ccorroded92%inthesameconditions.TiO_2ultrathinlayerbyALDisabletoachieveagoodbalancebetweenthedurabilityandactivity,leadingtoTiO_2/Pt/CasapromisingcathodecatalystforPEFCs.ThemechanismoftheTiO_2protectivelayerusedtopreventthedegradationofPt/Cisdiscussed.
简介:为了解决M/M/c模型在实际运用中模拟精度不高及使用范围有限的问题,本文立足系统状态变化与输入率和服务率的关系,通过引入输入概率和服务度,构建依赖系统状态的递进式输入率和服务率。递进式输入率和服务率通过研究系统实际运行状况设定临界值,其中输入率分为两阶段,服务率分为三阶段。此外,结合递进式输入率和服务率及排队论状态转移过程构建了递进式M/M/c模型,并采用后确定法确定模型参数。递进式M/M/c模型是M/M/c模型的扩展形式,提高了M/M/e模型的模拟精度,在一定程度上拓展了模型的应用范围。最后,通过一个生活实例验证了递进式M/M/c模型的优化性和实用性。
简介:ThisisoneoftheapplicationsofPart(Ⅰ),inwhichtheangularstiffness,thelateralstiffnessandthecorrespondingstressdistributionsofC-shapedbellowswerecalculated.Thebellowswasdividedintoprotrudingsectionsandconcavesectionsfortheuseofthegeneralsolution(Ⅰ),butthecontinuityofthestressresultantsandthedeformationsateachjointofthesectionswereentirelysatisfied.Thepresentresultswerecomparedwiththoseoftheothertheoriesandexperiments,andarealsotestedbythenumericallyintegralmethod.Itisshownthatthegoverningequationandthegeneralsolution(I)areveryeffective.
简介:Thecrystalandmolecularstructuresof[(C3H7O)2PS2]2(CCDCNo.217201)weredeterminedbymeansofX-raycrystallography.ItcrystallizedinatriclinicsystemwithspacegroupP1^-andlatticeparametersa=0.82794(3)nm,b=0.84764(2)nm,c=0.85034(3)nm,α=97.78(3)°β=110.77(3)°,γ=94.95(3)°,V=0.54701(9)nm^3,Z=1.Inthismolecule,thetwodiisopropyldithiophosphategroups,[(C3H7O)2PS2]2,whichareparalleltoeachother,arelinkedbyanS--Sbondandthereexistinversioncentersinthemolecule,Inthestructure,theP=Sbondsinthetwodithiophosphateunitsaretrans-orientedtoeachother.
简介:众多B2C网站已建立起会员等级制度,并据此向买家提供价格折扣。但会员等级制模型仅考虑买家交易金额,无法全面反映买家在线购买历史(onlinepurchasehistory),故不能准确提供差异化折扣。针对上述问题,提出了一种面向B2C电子商务的差异化折扣模型,该模型包含能体现买家在线购买历史的交易、退单、推荐购买、晒单等四个指标,将买家在线购买历史聚合为一个综合值,进而通过min-max标准化方法进行线性转换,将转换后的聚合值与会员等级基准折扣结合得到最终的差异化折扣,从而使得B2C网站可向同级别会员实施更精准的一对一营销和价格歧视策略。以京东商城为背景的仿真实验结果证明了本文新模型的有效性。
简介:合成了一种新型多硫化合物TBDTF,通过核磁和质谱等表征技术建立了其清晰的分子结构,通过紫外-可见光谱对TBDTF和不同物质的量比的TBDTF/C70混合溶液的吸收光谱进行了研究.用荧光光谱表征TBDTF的特征荧光谱.另外,采用不同物质的量比的TBDTF/C70荧光光谱分析TBDTF与C70分子间发生的电荷转移现象.随后将TBDTF和C70等以物质的量比混合制备成光电化学池,进行光电化学性质研究.实验结果表明,TBDTF和C70在溶液中发生了分子间电荷转移.光电化学表征结果表明了TBDTF/C70薄膜在可见光激发下发生了明显的光电转换现象,表明TBDTF是一类优异的多硫给电子分子.