X-RayDiffractionX-raydiffraction(XRD)isaversatile,non-destructivetechniquethatrevealsthedetailedinformationaboutthechemicalcompositionandcrystallographicstructureofnaturalandmanufacturedmaterials.0 2-theta

Phase ThediffractionpatternforeveryphaseisasuniqueasyourfingerprintPhaseswiththesamechemicalcompositioncandrasticallydifferentdiffraction UsethepositionandrelativeintensityofaseriesofpeakstomatchexperimentaldatatothereferencepatternsintheSilica：glass,quartz,

tativePhase Withhighqualitydata,youcandeterminehowmuchofeachphaseispresent–mustmeettheconstantTheratioofpeakvarieslinearlyasafunction

II(phasea)/I(phaseb) ..0

weightfractionsforanyphasesina–needtoknowtheconstantof

RIRmethodisfastandgivestativeWholepatternfitting/Rietveldrefinementisamoreaccuratebutmore UnitCellLatticeParameterRefinement Byaccura ymeasuringpeakpositionsoveralongrangeof2theta,youcandeterminetheunitcelllatticeparametersofthephasesinyoursamplealloying,substitutional ,temperatureandpressure,cancreatechangesinlatticeparametersthatyoumaywantusemanypeaksoveralongrangeof2thetasothatyoucanidentifyandcorrectforsystematicerrorssuchasspecimen cementandzeroshiftmeasurepeakpositionswithapeaksearchalgorithmorprofilefittingismoreaccuratebutmoretimethennumericallyrefinethelatticeCrystalliteSizeand Crystallitessmallerthan~120nmcreatebroadeningofthispeakbroadeningcanbeused fythecrystallitesizeofnanoparticlesusingtheScherrermustknowthecontributionofpeakwidthfromtheinstrumentbyusingacalibrationcurvemicrostrainmayalsocreatepeakIntensity yzingthepeakwidthsoveralongrangeof2thetausinga043>lerinite-COIntensitycrystallite L2PreferredOrientation Preferredorientationofcrystallitescancreateasystematicvariationindiffractionpeakintensitiescan yzeusinga1Ddiffractionapolefiguremapstheintensityofasinglepeakasafunctionoftiltandrotationofthesamplethiscanbeused fythe

00-004-0784>Gold-86

422

Two-ThetaBasisof 晶體學基礎(chǔ)Characteristicsofcrystals－Homogeneous－均勻性Anisotropy－各向異性:電導率、熱膨脹系數(shù)、折光率等Conductivity,Coefficientofthermalexpansion,RefractiveindexDeterminatemeltingpointSymmetryDiffractiontocrystals－晶體對X- 定律的現(xiàn)象Single-slit Circularaperture包括：單縫衍射、圓孔衍射、圓板衍射及 光在過程中，遇到

衍射時產(chǎn)生的明暗條紋或光環(huán)，叫衍射圖樣衍射波所共有的行為。日常生活中聲波的圓屏、狹縫、細絲、刀口、直邊等物時，在足夠CrystallatticeAcrystallatticeisaregularthree-dimensionaldistribution(cubic,rhombic,etc.)ofatomsinspace.Thesearearrangedsothattheyformaseriesof nesseparatedfromoneanotherbyadistanced,whichvariesaccordingtothenatureofthematerial.Foranycrystal, nesexistinanumberofdifferentorientations-eachwithitsownspecificd- TheunitcellisthebasicrepeatingunitthatdefinesasamesymmetrywithMacroscopiccrystals;(2)rightAngle;(3)smallest晶胞參數(shù)(Unitcellparametrs):包括晶胞中三個基本向量(basicvector，a、b、c)及三個方向的夾角（angle，α、β、γ）。

β βaxzzy（a,0,（0,b,xfaceandcrystal（Miller數(shù)(h,k,l)來表示。TwoMillerindexincubicTheingelectronmusthaveenoughenergytoremoveinner1selectronsfromthecopperatoms.ThisenergycorrespondstotheCuabsorptionedgeThe2sand2pelectronsfallbackintothe1ssandemittheK1K2lines.

MLK

MLK BasesBasesofcrystalsdiffractedbyX-Diffractionoccursaswavesctwithastructurewhoserepeatdistanceisaboutthesameasthewavelength.Thephenomenoniscommoninthenaturalworld,andoccursacrossabroadrangeofscales.Forexample,lightcanbediffractedbyagratinghavingscribedlinesspacedontheorderofafewthousandangstroms,aboutthewavelengthoflight.XXXX線的“反射”，這種特定條件的反射就是晶面對X射線的衍射。ItIthappensthatX-rayshavewavelengthsontheorderafewangstroms,thesameastypicaldistancesincrystallinesolids.ThatmeansX-rayscanbediffractedfrommineralswhich,bydefinition,arecrystallineandhaveregularlyrepeatingatomicWhencertaingeometricrequirementsaremet,X-raysscatteredfromacrystallinesolidcanconstructivelyinterfere,producingadiffractedbeam.In1912,W.L.Braggrecognizedapredicatablerelationshipamongseveralfactors.散射波長與入射波相同BraggθodAtomsseparatedbydistancedwillscatterinphasewhenthepathlengthdifferenceθodPathlengthdifferenceAB+BC=nλ=2dsin

d-BDerivationtheBApplicationofXRDin0 2-theta

PhasePhase UnitCrystalliteXRDpatternsofthreesamplescontaining5%Fe(III)sinteredat873Kfor2h.pH1.8;(b)pH3.6;and(c)pHCexZr1-xO2solid

:CobaltPDF_Number:[42- :Co3Wavelength:1.540598252531262075334622244417113642973138002660675126622840

Peaklist[Range1 111 220 111 220 3119222Spacegroup: 400 :8 422 OOriginDemOriginDemOriginDemOriginDemOriginDemOriginDemOriginDemOriginDemOriginDemOriginDemOriginDemOriginDem OriginDemOriginDemOriginDemOriginDemOriginDemOriginDem

2

:CeriumPDF_Number:[81- :CeWavelength:1.540598 :CubicSpacegroup:Fm-3m :5.4124Peaklist[Range1!

111200220311 222 400 3 420 4

2

Example1:Solidbase--Self-condensationofSelf-condensationofExample2:Solidacid--Al-containingmesoporousNH3-AcetalationofcyclohexanonewithNH3-NH3-TPDofAl-SBA-15withdifferentSi/AlCarbon-basedSolidAcid-Fructoseto Table1ConversionandselectivityinfructoseSelectivityReactioncondition:0.4gcatalyst,0.5gfructose,6mLsolvent,130 C,1.5hours.Table2Thestructureandsurfacepropertiesofthecatalystsandcorrespondingcatalyticperformancesa

HMFHMFYeild

SynergisticWith-COOHH--aReactioncondition:0.4gcatalyst,0.5gfructose,6mLDMSO,oC,