Xikui Fang
Assistant Scientist III
Address
Research Interests
Current research is focused on magnetic materials synthesis involving inorganic polyoxometalates. While the synthesis lies at the center of my research effort, the projects are directed toward developing materials with desired functions/properties at the interface of different fields.
- Synthesize polyoxometalate-based single-molecule magnets and related model complexes for the surface deposition of magnetic molecules;
- Prepare hybrid complexes of polyoxometalates and cucurbituril macrocycles;
- Model the active site of the photosystem II oxygen evolving complex with high oxidation-state manganese clusters featuring polyoxometalate ligands.
(Chronologically most recent on top)Education
- Ph.D. Emory University, 2006
- M.S. Northeast Normal University, China, 2001
- B.S. Northeast Normal University, China 1998
(Chronologically most recent on top)Professional Appointments
- 2009 - present Assistant Scientist, US DOE Ames Laboratory
- 2007 - 2009 Postdoctoral Associate, US DOE Ames Laboratory
- 2004 - 2006 Service Instructor, X-ray Crystallography Lab, Emory University
(Chronologically most recent on top)Honors & Awards
- 2006 Harold S. Johnston Award
- 2005 Osborne R. Quayle Fellowship, 2005
- 1998 Outstanding Student Award, Northeast Normal University, 1998
(Chronologically most recent on top)Publications with the Ames Laboratory
2013
Haso F; Fang X K; Yin P C; Li D; Ross J L; Liu T B . 2013. The self-assembly of a macroion with anisotropic surface charge density distribution. Chemical Communications. 49:609-611. abstract Export: Tagged BibTex
2012
Wu S; Kramer M J; Fang X W; Wang S Y; Wang C Z; Ho K M; Ding Z J; Chen L Y . 2012. Icosahedral short-range order in amorphous Cu80Si20 by ab initio molecular dynamics simulation study. Intermetallics. 30:122-126. abstract Export: Tagged BibTex
Fang X K; McCallum K; Pratt H D; Anderson T M; Dennis K; Luban M . 2012. A co-crystal of polyoxometalates exhibiting single-molecule magnet behavior: the structural origin of a large magnetic anisotropy. Dalton Transactions. 41:9867-9870. abstract
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O'Halloran K P; Zhao C C; Ando N S; Schultz A J; Koetzle T F; Piccoli P M B; Hedman B; Hodgson K O; Bobyr E; Kirk M L; Knottenbelt S; Depperman E C; Stein B; Anderson T M; Cao R; Geletii Y V; Hardcastle K I; Musaev D G; Neiwert W A; Fang X K; Morokuma K; Wu S X; Kogerler P; Hill C L . 2012. Revisiting the Polyoxometalate-Based Late-Transition-Metal-Oxo Complexes: The "Oxo Wall" Stands. Inorganic Chemistry. 51:7025-7031. abstract
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Fang X K; Kogerler P; Speldrich M; Schilder H; Luban M . 2012. A polyoxometalate-based single-molecule magnet with an S=21/2 ground state. Chemical Communications. 48:1218-1220. abstract
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2011
Fang X W; Wang C Z; Hao S G; Kramer M J; Yao Y X; Mendelev M I; Ding Z J; Napolitano R E; Ho K M . 2011. Spatially Resolved Distribution Function and the Medium-Range Order in Metallic Liquid and Glass. Scientific Reports. 1:194. abstract Export: Tagged BibTex
Wu S; Fang X W; Wang S Y; Wang C Z; Yao Y X; Ho K M; Ding Z J; Chen L Y . 2011. Fluctuation between icosahedral and body-centered-cube short-range orders in undercooled Zr liquid. Journal of Applied Physics. 110:103518. abstract
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Fang X W; Zhang G P; Yao Y X; Wang C Z; Ding Z J; Ho K M . 2011. Electronic transport in large systems through a QUAMBO-NEGF approach: Application to atomic carbon chains. Physics Letters A. 375:3710-3715. abstract
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Wu S; Kramer M J; Fang X W; Wang S Y; Wang C Z; Ho K M; Ding Z J; Chen L Y . 2011. Structural and dynamical properties of liquid Cu(80)Si(20) alloy studied experimentally and by ab initio molecular dynamics simulations. Physical Review B. 84:134208. abstract
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Fang X W; Wang C Z; Yao Y X; Ding Z J; Ho K M . 2011. Competition between fcc and icosahedral short-range orders in pure and samarium-doped liquid aluminum from first principles. Physical Review B. 83:224203. abstract
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