扩散在金属纳米晶的合成和催化中的应用

1、University of Science and Technology of ChinaReporters: Yizhen Chen, Hongliang LiTheoretical simulation: Xiaoliang TangMembers: Lingling Wu, Xin Wang, Yanyu XuMay 27th, 20161Application of Diffusion in Metal Nanocrystal Synthesis and CatalysisIntroductionDiffusion in Synthesis of NanocrystalsDiffusi

2、on in CatalysisSummary and Outlook2Equipotential surfaceCapacitance of conducting sphere ：A B + eC + e D specific areaSize effects： Volcanic curveC9C15(110)(111)C4(100)Activity & SelectivitySizeInterfaceStrainTopologyElectronic Properties(energy level, orbit, spin)Activation EnergyDesign of Metal Na

3、nocrystalsSizeSizeScience, 2016, 352, 797Nat. Mater. 2016, 15, 564Electronic PropertiesTopologyTopologyStrainStrainInterfaceInterfaceNano Lett. 2015, 15, 2875Angew. 2015, 54,108IntroductionDiffusion in Synthesis of NanocrystalsDiffusion in CatalysisSummary and Outlook61.Seeded Growth2.Kirkendal Effe

4、ct3.Combination4.Theoretical SimulationDiffusion in Synthesis of Nanocrystals7Diffusion in Synthesis of NanocrystalsDiffusion in Seeded growth8Seeded GrowthPNAS 2013, 110, 6669Diffusion vs DepositionSeeded Growth922 22 , V, Vdepositiondeposition/V/Vdiffusiondiffusion1 1 Experimental Conditions0 0 ,

5、V, Vdepositiondeposition/V/Vdiffusion diffusion 1150 50 , V, Vdepositiondeposition/V/Vdiffusion diffusion 1175 75 , V, Vdepositiondeposition/V/Vdiffusiondiffusion 1 1 Diffusion in Seeded growth10Kirkendal EffectKirkendall EffectNanocale Kirendall EffectScience 2004, 304, 71111Science 2015, 349, 412C

6、ombinationSubnanometer-thick Pt-based Nanocages12Density functional theory（DFT） calculationsCombination12Density Functional Theory CalculationsTheoretical Simulation13Kirkendal EffectEtchingIntroductionDiffusion in Synthesis of NanocrystalsDiffusion in CatalysisSummary and Outlook14 Hydrogen Diffusi

7、on on Metal SurfacesActivation Energy & Adsorption EnergySurf. Sci. 2012, 606, 1400 Diffusion Efficiency)exp(0kTHDD)exp(6120kSnlDmTHS/)exp(6120mkTHnlD)exp(20mkTHaDiiilD2)6/1 (iilD2)6/1 ()/exp(kTGSTHG)/exp()/exp(kTHkSiilD2)6/1 ()/exp()/exp(kTHkSdTGdS/dTddTGGd/ )/(/ )/(00dTHdS/ )/(0)/(/ )/(0mTTdd2/al

8、12noctahedralsites Quantum Effects in Hydrogen Diffusion Overbarrier Hopping vs Quantum Tunnelingfcc hollowhcp hollowbridgeJPCL 2013, 4, 1565 Quantum Effects in Hydrogen Diffusion Overbarrier Hopping vs Quantum Tunneling Subsurface HydrogenCatalytic Activity & Selectivity Size Effect-Volcano Relatio

9、nshipSubsurface HydrogenSurface AreaSmaller Size, Smaller the Number of Subsurface HydrogenSmaller Size, Larger the Specific Surface AreaSpecific Surface Area vs Subsurface HydrogenIntroductionDiffusion in Synthesis of NanocrystalsDiffusion in CatalysisSummary and Outlook2122 Seeded Growth: Diffusion vs Deposition