简介：UsingvanderWaalscorrecteddensityfunctionaltheory(vdW-DF)methodwehaveinvestigatedtheadsorptionofacetonemoleculeonpristineandPt-dopedgraphene.Severalactivesitesforboththeinteractingsystemshavebeenconsideredintheadsorptionprocessincludingfullgeometryoptimization.Wehaveanalyzedthestructuralandelectricalpropertiesofenergeticallyfavorableconfigurations.TheresultsshowthatadsorptionofacetonemoleculeonthePt-dopedgrapheneisenergeticallypreferable.Thebindingenergyandbondingdistancearedeterminedtobe-5.277eVand2.206A,respectively,accompanyingwithchargetransferof1.11e.Furthermore,thePt-0bondisrathersignificantlyelongatedwhenacetoneisadsorbedonPt-dopedgraphene.Comparedtopristinegraphene,thePt-dopedgraphenehasstrongerinteractionwiththeacetoneandmayprovidemoresensitivesignaiforasingleacetonemolecule.Meanwhile,practically,thebandgapofPt-dopedgraphenewouldbecomereducedafteracetoneadsorption.Consequently,ourfirst-principlesstudypresentsevidenceforacoherentbenchmarkfortheapplicabilityofPt-dopedgrapheneforacetoneadsorptionanddetection.

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简介：Anenvironmentallyfriendlyprecursor,adenosine,hasbeenusedasadualsourceofCandNtosynthesizenitrogen-dopedcarboncatalystwith/withoutFe.Ahydrothermalcarbonizationmethodhasbeenusedandwateristhecarbonizationmedia.Themorphologyofsampleswith/withoutFecomponenthasbeencomparedbyHRTEM,andtheresultshowsthatFecanpromotethegraphitizationofcarbon.Furtherelectro-chemicaltestshowsthattheoxygenreductionreaction(ORR)catalyticactivityofFe-containingsample(C–FeN)ismuchhigherthanthatoftheFe-freesample(C–N).Additionally,theintermediatesofC–FeNformedduringeachsyntheticprocedurehavebeenthoroughlycharacterizedbymultiplemethods,andthefunctionofeachprocedurehasbeendiscussed.TheC–FeNsampleexhibitshighelectro-catalyticstabilityandsuperiorelectro-catalyticactivitytowardORRinalkalinemedia,withitshalf-wavepotential20mVlowerthanthatofcommercialPt/C(40wt%).Itisfurtherincorporatedintoalkalinepolymerelectrolytefuelcell(APEFC)asthecathodematerialandledtoapowerdensityof100mW/cm~2.

简介：ThehighlydispersedPt–ReOX(x≤1)sitesca.0.5nminsizewereformedviaasuccessiveandstronginteractionoftheReprecursorwithtitaniaandthenofthePtcomplexwithdepositedlow-valentrheniumoxideclusters.Thesize,chargeandchemicalcompositionwerecharacterizedbymeansofHRTEM/STEMwithEDXmapping,XPS,andFTIRS.ThesesiteswithRe/Pt=2wereshowntobehighlyactiveandselectiveinthehydrogenationofcarboxylicacidtoalcoholunderverymildconditions(T=130°C,P=50bar).ThereactionrateconstantforthehydrogenationofhexanoicacidincreasedlinearlywiththePtcontent.Asforthehomogeneouspincer-typeRu-organiccomplexes,theactivePt–ReOXsitescandissociateheterolyticallythemolecularhydrogenwiththeformationofhydroxylgroupsandPthydrideforhydrogenationofthecarboxylicgroup.Indeed,TOFof20h-1andselectivityof98%–99%areapproachingthevaluestypicalofhomogeneouscatalysts.Thefirstorderkineticsdescribedwelltheexperimentaldataobtainedinawiderangeofreactionconditions.

简介：Theaerobicoxidationofglycerolprovidesaneconomicallyviableroutetoglyceraldehyde,dihydroxyacetoneandglycericacidwithversatileapplications,forwhichmonometallicPt,AuandPdandbimetallicAu–Pt,Au–PdandPt–PdcatalystsonTiO2wereexaminedunderbase-freeconditions.PtexhibitedasuperioractivityrelativetoPd,andAu–PdandPt–PdwhileAuwasessentiallyinactive.ThepresenceofAuontheAu–Pt/TiO2catalystsledtotheirhigheractivities(normalizedperPtatom)inawiderangeofAu/Ptatomicratios(i.e.1/3–7/1),andtheonewiththeAu/Ptratioof3/1exhibitedthehighestactivity.SuchpromotingeffectisascribedtotheincreasedelectrondensityonPtviatheelectrontransferfromAutoPt,ascharacterizedbythetemperature-programmeddesorptionofCOandinfra-redspectroscopyforCOadsorption.Meanwhile,thepresenceofAuonAu–Pt/TiO2,mostlikeduetotheobservedelectrontransfer,changedtheproductselectivity,andfacilitatedtheoxidationofthesecondaryhydroxylgroupsinglycerol,leadingtothefavorableformationofdihydroxyacetoneoverglyceraldehydeandglycericacidthatwerederivedfromtheoxidationoftheprimaryhydroxylgroups.ThesynergeticeffectbetweenAuandPtdemonstratesthefeasibilityintheefficientoxidationofglyceroltothetargetedproducts,forexample,byrationaltuningoftheelectronicpropertiesofmetalcatalysts.

简介：Variousagriculturalcropresiduesincludingcornstover,corncob,andsorghumstalkwithamoisturecontentof75wt%weresubjectedtoalongpretreatment(12-60h)withsupercriticalCO2(scCO2),atlowtemperature(50-80℃)andapressureof17.5-25.0Mpa.Thesugaryieldsfromtheenzymatichydrolysis(EH)ofthepretreatedsampleswereasmuchasthree-tofourfoldgreaterthanthoseaffordedbytherawmaterials.However,whenpretreatmentwasconductedwithinashorttime(e.g.0.5h),aspreviouslyreportedintheliterature,onlyaslightincreaseintheEHsugaryieldswasobserved.TheproposedscCO2pretreatmentmechanismdemonstratedtheroleofmoistureinthesystem.Wetting,softening,andswellingwereobservedtomainlyaffectthelignocellulosewhenasuitableamountofwaterwasadded.Finally,thesampleswereanalysedbyX-raydiffractionandscanningelectronmicroscopy,beforeandafterpretreatment,toinvestigatethechangesinthemicroscopicstructureofthebiomass.

简介：以PbO，MgO，Nb2O5，TiO2为原料，采用两步固态反应法制备了纯钙钛矿相的0．92PMN-0．08PT陶瓷，并对其相的组成、微观形貌、介电性能和储能性能进行了研究。在25℃，1kHz条件下，该陶瓷的相对介电常数高达27480，介电损耗tan艿仅为4％，电滞回线形状细长，剩余极化很小，可释放的能量密度达0．31J·cm-3.结果表明：室温下该陶瓷具有优良的介电和储能性能。

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简介：分子的动态模拟被执行在交流上调查事件精力的效果:从C和H的H电影生长原子流动。我们的模拟证明在低事件精力(1eV)的电影生长被H和C原子的吸附统治。在中等事件精力(10和20eV)，有在表面吸附的H原子的事件H原子的抽象反应变得重要。在高事件精力(30和40eV)，交流:H电影生长是一个二拍子的圆舞过程：一个人是吸附和C原子的浅培植，并且其它是H原子的深培植。[从作者抽象]

简介：Anovelgas-phaseelectrocatalyticcellcontainingalow-temperatureprotonexchangemembrane(PEM)wasdevelopedtoelectrochemicallyconvertCO2intoorganiccompounds.TwodifferentCu-basedcathodecatalysts(CuandCu-C)werepreparedbyphysicalvapordepositionmethod(sputtering)andsubsequentlyemployedforthegas-phaseelectroreductionofCO2atdifferenttemperatures(70-90℃).ThepreparedelectrodesCuandCu-CwerecharacterizedbyX-raydiffraction(XRD),X-rayphotoemissionspectroscopy(XPS)andscanningelectronmicroscopy(SEM).Asrevealed,CuispartiallyoxidizedonthesurfaceofthesamplesandtheCuandCu-Ccathodiccatalystswerecomprisedofaporous,continuous,andhomogeneousfilmwithnanocrystallineCuwithagrainsizeof16and8nm,respectively.Theinfluenceoftheappliedcurrentandtemperatureontheelectro-catalyticactivityandselectivityofthesematerialswasinvestigated.Amongthetwoinvestigatedelectrodes,thepureCucatalystfilmshowedthehighestCO2specificelectrocatalyticreductionratesandhigherselectivitytomethanolformationcomparedtotheCu-Celectrode,whichwasattributedtothehigherparticlesizeoftheformerandlowerCuO/Curatio.Theobtainedresultsshowpotentialinterestforthepossibleuseofelectrical「enewableenergyforthetransformationofCO2intovaluableproductsusinglowmetalloadingCubasedelectrodes(0.5mgCucm2)preparedbysputtering.

简介：氢水液相交换（LPCE）是从水中分离氢同位素的一种重要方法，是指氢气与液态水之间进行的氢同位素交换反应，可用于含氚重水提氚和升级，含氚废水处理及重水生产等，LPCE反应实现的关键是疏水催化剂的制备。从第一种疏水催化剂制备到现在，已经有超过1000种催化剂。尽管如此，各国研究的重点主要集中在如何提高催化剂疏水性，以延长使用寿命，提高催化活性，而一些常规催化剂更关注的基础问题几乎没有涉及，如Pt粒径大小、价态分布等Pt微观结构与催化剂活性的关系。这些问题的解决对改进催化剂制备工艺，进一步提高催化剂活性有重要作用。

简介：氢水液相催化交换（LPCE）是从水中分离氨同位素的一种重要方法，具体可用于重水提氚、含氚废水处理及重水生产等，疏水催化剂制备是LPCE的关键技术之一。改进催化剂制备方法，提高活性金属分散度，或在Pt中部分掺入其他金属，制备Pt基二元疏水催化剂，均可提高催化剂活性，降低催化剂成本。已证实，Pt中适量掺入Ir，Ti和Cr等金属，可提高疏水催化剂活性，而对Pt-Ru疏水催化剂催化LPCE反应的研究，目前无文献报道。

简介：Carbon-supportedPdnanoparticleswerepreparedbymicrowaveheating-glycolreductionmethod,andcharacterizedbyawidearrayofexperimentaltechniquesincludingX-raydiffractionspectroscopy(XRD)andtransmissionelectronmicroscopy(TEM).TheelectrooxidationbehaviorsofethanolonthePd/Celectrodeinalkalinemediawereinvestigatedusingcyclicvoltammetry(CV),chronoamperometry(CA),electrochemicalimpedancespectroscopy(EIS)andsinglecellperformancemethods.Pd/Celectrodeforethanoloxidationshowedhighelectro-catalyticactivityandlongtermstability.However,itisobservedthatthecurrentdensitydecreaseswiththeincreasingofthepotentialandnegativeimpedancepresentsinthepotentialfrom-0.1to0.1V.Thedecreasingcurrentdensityandthenegativeimpedancecouldbeduetotheadsorbedintermediatesspeciesthatinhibitedthefurtheroxidationofethanol.BasedonthechemicalreactionanalysisandEISspectra,equivalentcircuitsrelatingtovariouspotentialzoneshavebeenobtained.TheseresultsrevealthedynamicadsorptionofintermediatesspeciesonPdsurfaces.Significantly,itisclarifiedthattheadsorptionbehaviorbeginsfromthemaximumcatalysisofelectro-catalysisandendsintheformationofthepalladium(II)oxidelayerontheelectrodesurface.

简介：TheCprogramminglanguageisexpressiveandflexible,butnotsafe;asitsexpressivepowerandflexibilityareobtainedthroughunsafelanguagefeatures,andimproperuseofthesefeaturescanleadtoprogrambugswhosecausesarehardtoidentify.SinceCiswidelyused,anditisimpracticaltorewriteallexistingCprogramsinsafelanguages,sowaysmustbefoundtomakeCprogramssafe.ThispaperdealswiththeunsafefeaturesofCandpresentsasurveyonexistingsolutionstomakeCprogramssafe.Wehavestudiedbinary-levelinstrumentationtools,sourcecheckers,source-levelinstrumentationtoolsandsafedialectsofC,andpresentacomparisonofdifferentsolutions,summarizedthestrengthsandweaknessesofdifferentclassesofsolutions,andshowmeasuresthatcouldpossiblyimprovetheaccuracyoralleviatetheoverheadofexistingsolutions.

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简介：ThefirststarsintheearlyUniversewereformedabout400millionyearsafterthebigbang.VerificationoftheexistenceofthesestarsisimportantforourunderstandingoftheevolutionoftheUniverse[1].IthasbeenpredictedthatforPopulation-IIIstellarproductionyields,theabundancesofodd-Zelementsareremarkablydeficientcomparedtotheiradjacenteven-Zelements[2].Astronomersaresearchingforlong-lived,lowmassstarswiththeuniquenucleosyntheticpatternmatchingthepredictedyields[3].

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简介：当用于含能材料的表面涂层时，ParyleneC涂层优良的电绝缘性能，使得涂层后的炸药表面容易产生静电积累，因此可能会降低炸药的静电安全性。通过试验初步考核了ParyleneC涂层后炸药的静电摩擦感度，并与未涂层炸药以及带聚氨酯复合涂层的炸药进行对比。实验简易装置如图1所示。

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简介：The12C+13Csystemhasbeenstudiedextensively,becauseofthesimilarityoftheentrancechanneltotheastrophysicallyimportant12C+12Creaction[1??3].Untilnow,threedifferentmethodshavebeenexploitedtoperformthefusioncrosssectionmeasurementsfor12C+13CundertheCoulombbarrier:(1)measuringtheyieldofcharacteristicrays,(2)thetotal-rayyieldsusingNaIsummingdetectorsand(3)theactivityofthereactionresidue24Na(T1=2=15.0h).Recently,thefusioncrosssectionof12C+13Chasbeenmeasureddownto0.9nbthroughtheactivitymeasurementbyourgroup[4].Althoughthestatisticalmodelcalculationsinallthesethreemethodshavebeenroutinelyusedtoconverttheobservedpartialcrosssectionsintothetotalfusioncrosssections[5],thesystematicuncertaintyinducedbythestatisticalcorrectionshasnotbeenstudiedverywell.