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Major breakthroughs: For a first time try to optimize Ba(NO 3 ) 2 structure and

DFT Study of Pt and Pd Pseudomorphic Monolayer Alloy Catalysts for NO x Storage Reduction Applications Jelena Jelic, Graduate Student at University of Illinois at Chicago Advisor: Prof. Randall J. Meyer, Chemical Engineering. Technical accomplishments:

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Major breakthroughs: For a first time try to optimize Ba(NO 3 ) 2 structure and

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  1. DFT Study of Pt and Pd Pseudomorphic Monolayer Alloy Catalysts for NOx Storage Reduction Applications Jelena Jelic, Graduate Student at University of Illinois at ChicagoAdvisor: Prof. Randall J. Meyer, Chemical Engineering • Technical accomplishments: • Use the d-band center theory in order to improve de-NOx NSR catalyst • Use of a new class of Pt and Pd based Pseudomorphic Monolayer Alloy Catalysts • Calculations of basic reactions in both modes of the catalyst Major breakthroughs:For a first time try to optimize Ba(NO3)2 structure and interface between Ba(NO3)2 and Pt particle and investigate the reduction reactions on the interface • PIRE Activities: • Attended CAMD • Summer School Other Efforts/Outreach: - 12th International Conference on Theoretical Aspects of Catalysis (Bulgaria) - CAMD Summer School (Denmark)

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