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Using first principles to predict bimetallic catalysts for the ammonia decomposition reaction.
Hansgen DA, Vlachos DG, Chen JG. Hansgen DA, et al. Nat Chem. 2010 Jun;2(6):484-9. doi: 10.1038/nchem.626. Epub 2010 Apr 25. Nat Chem. 2010. PMID: 20489718
Experimental and theoretical studies of ammonia decomposition activity on Fe-Pt, Co-Pt, and Cu-Pt bimetallic surfaces.
Hansgen DA, Thomanek LM, Chen JG, Vlachos DG. Hansgen DA, et al. J Chem Phys. 2011 May 14;134(18):184701. doi: 10.1063/1.3589260. J Chem Phys. 2011. PMID: 21568523
Understanding mixing of Ni and Pt in the Ni/Pt(111) bimetallic catalyst via molecular simulation and experiments.
Wang H, Stamatakis M, Hansgen DA, Caratzoulas S, Vlachos DG. Wang H, et al. Among authors: hansgen da. J Chem Phys. 2010 Dec 14;133(22):224503. doi: 10.1063/1.3512644. J Chem Phys. 2010. PMID: 21171687
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