Xiaodong Wen Dr. Xiaodong Wen
Postdoctoral Associate (Curriculum Vitae)
Ph.D., Chinese Academy of Sciences at Taiyuan, 2007

Office: 220C Baker Laboratory
Phone: (607) 255-0597
Email: xw85(at)cornell.edu


Research Interests

Xiaodong's research

          My research encompasses the study of the electronic and geometrical structures, novel properties, reactivity (including catalysis mechanism) of molecules, clusters, nanosystems, and solids – whether they be inorganic or organic using the computational approaches of quantum chemistry (DFT), solid state physics (band structure methods) and semiempirical quantum chemistry method (Extended Hückel methods).

           My main research areas so far were the following:
(1) Theoretical studies of molecules, nanosystems, and solids (electronic and magnetic properties)
(2) Surface studies and catalytic mechanisms
(3) Solids (or materials) under high pressure (phase transformation and phase prediction)
(4) Phonon dispersion studies
(5) Ab-initio molecular dynamic studies on metals with low melting-points
(6) Theoretical design of fuel cell catalysts
(7) Low dimensional magnetic material design
(8) Quantum dots and semiconductor studies
(9) Superconductivity studies

          Now, I am working on developing a theoretical understanding of the properties which emerge due to a decrease, or increase in the dimensionality of a system.


Selected Publications
Wen, X.-D.; Cahill, T. J.; Hoffmann, R. Exploring Group 14 Structures: 1D to 2D to 3D. Chemistry: A European Journal. 2010, In press.

Wen, X.-D.; Cahill, T. J.; Gerovac, N. M.; Bucknum, M. J.; Hoffmann, R. Playing the Quantum chemical Slot Machine: An Exploration of ABX2 Compounds. Inorg. Chem. 2010, 49 (1) 249-260.

Wen, X.-D.; Cahill, T. J.; Hoffmann, R. Element Lines: Bonding in the Ternary Gold Polyphosphides Au2MP2 with M=Pb, Tl or Hg, J. Am. Chem. Soc. 2009, 131, 2199–2207.

Wen, X.-D.; Cahill, T. J.; Hoffmann, R.; Miura, A. Tuning of Metal-Metal Bonding by Counterion Size in Hypothetical AETiO2 Compounds, J. Am. Chem. Soc. (communication). 2009, 131, 14632-14633.

Miura, A.; Wen, X.-D.; Abe, H.; Yau, G.; Hoffmann, R.; DiSalvo, F. J. Non-stoichiometric FexWN2: deintercalation of Fe from FeWN2. J. Solid States Chem. 2010, 183 (2), 327-331.

Son, J. S.; Wen, X.-D.; Joo, J.; Chae, J.; Baek, S.; Park, K.; Kim, J. H.; An, K.; Yu, J. H.; Kwon, S. G.; Choi, S.-H.; Wang, Z.; Kim, Y. W.; Kuk, Y.; Hoffmann, R.; Hyeon, T. Large-Scale Soft Colloidal Template Synthesis of 1.4 nm Thick CdSe Nanosheets. Angew. Chem. Int. Ed. 2009, 48 (37), 6861-6864.



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