《A Theoretical and Experimental Approach for Correlating Nanoparticle Structure and Electrocatalytic Activity》.ppt

A Theoretical and Experimental Approach for Correlating Nanoparticle Structure and Electrocatalytic Activity (Rachel M. Anderson, Acc.Chem.Res, 2015) The University of Texas at Austin. USA IF=22.323 Proper?noun DENs: Dendrimer-encapsulated nanoparticles DFT: Density functional theory UPD: Underpotential deposition ORR: Oxygen reduction reaction Background Difficulty 1 the polydisperse nature of nanoparticles 2 understanding the catalytic properties of 1~2 nm particles Experimental DENs Fabrication of core@shell DENs: (1) formation of the core using the approach shown in Figure 1a; (2) immobilization of the core DENs onto an electrode surface followed by UPD a single atomic layer of a second metal. Structural Rearrangement of Core@Shell DENs Catalytic Oxidation of Formic Acid Alloy-Core@Shell DENs Future Direction Future work Plan to continue using theoretical methods to predict how catalyst structure will affect activity. QUESTION The use of binding energies as surrogate descriptors of activity is a viable approach for DENs. Are there other types of descriptors that can be used for this purpose? Is it possible to use multiple descriptors to tune reactivity? What is the scope of the alloy-core approach to tuning reactivity and particle stability? Can we remove the dendrimer from the DENs, and thereby invoke and predict catalytic behavior when the metal catalyst is in direct contract with the electrode surface… Good evening, Dear Mr Zhou and my little brothers, firstly, It is a great honor for me to be here to do my presentation, today, I will report a review about how to correlating nanoparticle structure and electrocatalytic activity. Accounts of Chemical Research：化学研究账目 Before discuss this paper, I would to show you some proper noun, and then you can have a better understanding of this paper. Because of their structural uniformity and accessible surfaces, DNEs ( dendrimer-encapsulated nanoparticles) are a useful construct for combining theory and expe