Xikui Fang

Associate Scientist
148 Spedding Hall
The Ames Laboratory
Ames, IA 50011-3020
Phone 515-294-7505
Email xfang@ameslab.gov

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;

(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


  • 2012 - present Associate Scientist, US DOE Ames Laboratory
  • 2009 - 2012 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

Fang X W; Huang L; Wang C Z; Ho K M; Ding Z J . 2014. Structure of Cu64.5Zr35.5 metallic glass by reverse Monte Carlo simulations. Journal of Applied Physics. 115:053522. abstract
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Fang X K; Hansen L; Haso F; Yin P C; Pandey A; Engelhardt L; Slowing I; Li T; Liu T B; Luban M; Johnston D C . 2013. {Mo24Fe12} Macrocycles: Anion Templation with Large Polyoxometalate Guests. Angewandte Chemie-International Edition. 52:10500-10504. abstract
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Pratt H D; Hudak N S; Fang X K; Anderson T M . 2013. A polyoxometalate flow battery. Journal of Power Sources. 236:259-264. abstract
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Hou Y; Fang X K; Kwon K D; Criscenti L J; Davis D; Lambert T; Nyman M . 2013. Computational and Experimental Characterization of a Cagelike Fe15 Polycation. European Journal of Inorganic Chemistry. :1780-1787. abstract
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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
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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 . 2012. Icosahedral short-range order in amorphous Cu80Si20 by ab initio molecular dynamics simulation study. Intermetallics. 30:122-126. abstract
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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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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
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