报告题目：THEORETICAL STUDIES OF STRUCTURAL, ELECTRONIC, AND CHEMICAL REACTIVITY PROPERTIES OF PURE Pt AND Mo, AND MIXED Pt/Mo NANOCATALYSTS
报告人：Dr. Julius Jellinek, Argonne National Laboratory
时间: 9月15号（周五）上午10:30am
地点: 田家炳楼南205室
邀请人： 王金兰
欢迎各位老师、同学参加!
报告内容简介：
Results of extensive density functional theory based studies on structural, electronic, and chemical reactivity properties of pure Pt and Mo, and mixed Pt/Mo catalytic clusters will be presented and discussed. The discussion will include analyses of isomeric forms, bonding energetics, and electronic features of the pure clusters as a function of their size, and how all these are affected by admixing Mo to Pt clusters and Pt to Mo clusters. The issue of the energetically preferred homotopic conformations and the role of the stoichiometric composition will be addressed as well. We will remark on the role of the synthesis pathway in defining the structural and, consequently, chemical reactivity characteristics of mixed Pt/Mo nanocatalysts. The chemical reactivity of the nanocatalysts will be analyzed for the case of CO adsorption and reaction steps involved in reforming of glycerol. The analysis will cover dependences on size, structure, site and composition of the nanocatalysts as well as the reactant coverage.
Dr. JULIUS JELLINEK
Education
1969 Diploma with Distinction in Theoretical Physics (Equivalent to M.Sc.), Physics Department, Uzhgorod University, USSR
1969 - 1972 Aspirant (Ph.D. student) - Theoretical High Energy Physics, Physics Department, Uzhgorod University, USSR
1983 Ph.D. in Chemical Physics, The Weizmann Institute of Science, Rehovot, Israel
Experience
1972 - 1976 Lecturer, Uzhgorod University
1976 Immigrated to Israel
1980 - 1981 Teaching Assistant, Department of Chemical Physics, The Weizmann Institute of Science, Rehovot, Israel
1983 - 1986 Weizmann Fellow/Research Associate, Department of Chemistry, The University of Chicago.
1986 - 2005 In charge of the Theory Component in the Cluster Studies Group, Chemistry Division, Argonne National Laboratory
1986 - 1991 Assistant Scientist, Chemistry Division, Argonne National Laboratory
1991 - 1997 Scientist, Chemistry Division, Argonne National Laboratory
1997 � Present Senior Scientist, Chemistry Division, Argonne National Laboratory
2000 - 2005 Group Leader, Cluster Studies Group (experiment and theory), Chemistry
Division, Argonne National Laboratory
2006 - Present Senior Fellow, University of Chicago/Argonne Computation Institute
Honors and Awards
1980 Minerva Award, Minerva Foundation, Germany
1981 The Dov Elad Distinction Award, The Weizmann Institute of Science, Israel
1983 � 1984 The Chaim Weizmann Fellowship, The Weizmann Foundation
2005 The University of Chicago Award and Medal for Distinguished Performance at the Argonne National Laboratory
2007 Introductory Lecture, The Royal Society of Chemistry Faraday Discussion Meeting No138 on “Nanoalloys: From Theory to Application”, Birmingham, UK
2008 Research Excellence Award in Computational Physics, The European Society of Computational Methods in Science and Engineering
2010 Humboldt Research Award, Alexander von Humboldt Foundation, Germany
2010 Fellow, American Physical Society
2011 May-July Humboldt Awardee visitor, Fritz Haber Institute, Germany
2011 Oct. The Humboldt Lecture + Medal, Fritz Haber Institute, Berlin, Germany
2015 May-Aug. Humboldt Awardee Visitor, Fritz Haber Institute, Germany
2016 Nov. Weston Visiting Professor, The Weizmann Institute of Science, Israel
-2017 June