BSc, PhD
Research Fellow, Environmental Futures Centre
Contact details for Dr Yun Wang
Research Expertise
- Theoretical studies on surfaces and interfaces
- Chemical reactions and dynamics on surfaces
- Rational design of new high performance nano-catalysts
- Atomic-level control of surface chemistry and electrical properties of semiconductor and metal nano-materials through impurity doping
Current Projects
- Functionalization of titanium dioxide by molecular design
- Water adsorption, dissociation and photo-conversion on titanium dioxide surfaces for solar fuel generation
Selected Publications
- Reimers, J.R., Wang, Y., Cankurtaran, B.O., Ford, M.J., Chemical Analysis of the Superatom Model of Gold Nanoparticles. Journal of American Chemical Society, (Submitted).
- Wang, Y., Chi, Q., Hush, N.S., Jeffrey, R. Reimers, J.Z., Ulstrup, J. 2009. Scanning tunneling microscopic observation of adatom-mediated motifs on gold-thiol self-assembled monolayers at high coverage. Journal of Physical Chemistry C, 2009, 113, 19061.
- Wang, Y., Hush, N.S., Reimers, J.R., Formation of gold-methanethiyl self-assembled monolayers. Journal of American Chemical Society, 2007, 129, 14532.
- Wang, Y., de Gironcoli, S., Hush, N.S., Reimers, J.R. Successful a priori modeling of CO adsorption on Pt(111) using periodic hybrid density function theory Journal of American Chemical Society, 2007, 129, 10402.
- Xia, S., Pan, G., Cai, Z., Wang, Y., Reimers, J.R. The manganite-water interface. The Journal of Physical Chemistry C, 2007, 111, 10427.
- Wang, Y., Hush, N.S., Reimers, J.R. Simulation of the Au (111) (22) surface reconstruction. Physical Review B, 2007, 75, 233416.
- Wang, Y., Hush, N.S., Reimers, J.R. Understanding the chemisorption of 2-Methyl-2-propanethiol on Au(111). The Journal of physical Chemistry C, 2007, 111, 10878.
- Pillay, D., Wang, Y., Hwang, G.S. Prediction of tetraoxygen formation on rutile TiO2(110). Journal of American Chemical Society, 2006, 128, 14000.
- Pillay, D., Wang, Y., Hwang, G.S., Nucleation and growth of 1B metal clusters on rutile TiO2(110): Atomic level understanding from first principles studies. Catalysis Today, 2005, 105(1), 78. (A ranked by ARC)
- Wang, Y., Hwang, G.S. Origin of non-local interaction in adsorption of polar molecules on Si (001)-2x1. Journal of Chemical Physics, 2005,122, 164706.
- Wang, Y., Hwang, G.S. P-assisted growth of molecular wires on Si (001)-2x1. Applied Physical Letter, 2005, 86, 23108.