#  Charles Campbell 

 



####  calendar\_today Date and Time 

 **April 16, 2015** 

 05:00PM - 06:00PM EDT 

####  pin\_drop Location 

 **Pfizer Lecture Hall**  



 

 



 

Professor Charles Campbell, University of Washington. *Surface reactions in energy technologies: thermodynamics and kinetics for improving catalytic nanomaterials.*  R.B. Woodward Lectures in the Chemical Sciences, Harvard/MIT Physical Chemistry Seminar.Abstract:

Surface chemical reactivity frequently dictates our choices of materials for energy technologies, including catalysts for clean fuels production and utilization, fuel cell electrodes and photovoltaics. This past decade has seen important advances in our ability to measure surface chemical bond energies and to use them to make predictions of relevance for improving materials in energy technology. We will review those advances here, with a focus on results for: (1) the heats of formation of adsorbed reaction intermediates on the surfaces of catalysts during catalytic fuels production and combustion, and on electrodes in fuel cell reactions, (2) microkinetic modeling using these heats, with advanced methods for model analysis to identify better materials, and (3) bond strengths at the interfaces between dissimilar materials that determine the reactivity and lifetimes of nanostructured catalyst materials. These measurements provide important benchmarks for comparisons with computational quantum mechanical methods that predict surface bonding energies, such as periodic density functional theory (DFT), which is currently the most accurate affordable method. While DFT has already proven powerful in the computational design of new catalyst materials, this comparison reveals very substantial errors in DFT that highlight the need for more accurate fast computational methods.

- Supported by NSF and DOE-OBES-Chemical Sciences Division.



 

 



 

 See also:- [ Woodward Lectures in the Chemical Sciences, Physical Chemistry Seminar ](/seminars/woodward-lectures-chemical-sciences-physical-chemistry-seminar)
 
 

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