Institute of High Performance Computing


People: Vibrant & Dynamic Culture



Material Science & Engineering (MSE)



Research Interests:

  • Electonic properties of dimensional nano-materials  
  • Surface and interface 
  • Surface catalysis


  • Ph.D., National University of Singapore, 2007
  • M.S., Nankai University, 2003
  • B.S., Nankai University, 2000

Published Journals/ Articles:


    • Z.-G. Yu, J. Zhang, D. J. Singh, P. Wu, First-principles Investigation of Nitrosyl Formation in Zirconia, Phys. Rev. B; 2012 (Accepted)
    • J. Zhang, X.-M. Cao, P. Hu, Z. Zhong, A. Borgana, P. Wu, DFT Studies of Ethanol Decomposition on Rh(211), J. Phys. Chem. C; 115: p. 22429, 2011.
    • K. P. Ong, J. Zhang, J.S. Tse, P. Wu, Original of anisotropy and metallic behavior in delafossite PdCoO2, Phys. Rev. B.; 81: p. 115120, 2010.
    • J. Zhang, K. P. Ong, P. Wu, The Inflence of Out-of-Plane Deformation on the Band Gap of Graphene Nanoribbons, J. Phys. Chem. C; 114:p.12749, 2010.
    • J. Zhang, H.M. Jin, M.B. Sullivan, F.C.H.Lim, P. Wu, Study of Pd-Au bimetallic catalysts for CO oxidation reaction by DFT calculations, Phys. Chem. Chem. Phys.;11: p. 1141, 2009.
    • J. Zhang, K. P. Loh, P. Wu, M. B. Sullivan, J. W. Zheng, Chemisorption-induced polarization of boron nitride nanotubes, J. Phys. Chem. C; 112: p. 10279, 2008.
    • J. Zhang, J. M. Soon, K. P. Loh, J. Yin, J. Ding, M. B. Sullivan, P. Wu., Magnetic molybdenum disulfide nanosheet films, Nano. Lett.; 7: p. 2370-2376, Jul. 2007.
    • J. Zhang, K. P. Loh, J. W. Zheng, M. B. Sullivan, P. Wu. Adsorption of molecular oxygen on the walls of pristine and carbon-doped (5,5) Boron Nitride Nanotube: a spin polarized density functional study, Phys. Rev. B; 75: p. 245301 1-6, Jun. 2007.
    • J. Zhang, M.B. Sullivan, J.W. Zheng, K.P. Loh, P. Wu. Theoretical study on polyimide Cu(100)/Ni(100) adhesion, Chem. Mater.; 18: p. 5312-5316, Oct. 2006.
    • J. Zhang, K.P. Loh, M. Deng, M.B. Sullivan, J.W. Zheng, P. Wu. Work function of (8,0) single-walled boron nitride nanotube at the open tube end, J. Appl. Phys.; 99: p. 104309 1-7, May. 2006.
    • J. Zhang, K. P. Loh, S.W. Yang, P. Wu. Exohedral doping of single-walled boron nitride nanotube by atomic chemisorption, Appl. Phys. Lett.; 87: p. 243105 1-3, Dec. 2005.
    • M. Lin, J. Zhang, C. Boothroyd, Y. L. Foo, M. Yeadon, and K. P. Loh. Hollowing Mechanism of Zinc Sulfide Nanowires in Vacuum Induced by an Atomic Oxygen Beam, J. Phys. Chem. B; 108: p. 9631-9637,2004.


    • Zhang, J.; Cao, X.-M.; Hu, P.; Zhong, Z.; Borgna, A.; Wu, P. (2012) "DFT Studies of Ethanol Decomposition for H2 Production" 243rd ACS National Meeting, San Diego, United States, 25-29 March, 2012.
    • Zhang, J.; Lim,, C. H.; Sullivan, M. B.; Jin, H. M.; Wu, P. (2011) "A DFT Study of CO Oxidation on Pd Alloy Catalyst", 12th Netherland"s Catalysis and Chemistry Conference, Noordwijkerhout, The Netherlands, 28 February-2 March, 2011.
    • Zhang, J.; Ong, P. K.; Wu, P. (2010) "The Inflence of Out-of-Plane Deformation on the Band Gap of Graphene Nanoribbons", E-MRS 2010 Spring Meeting, Strasbourg, France, 7-11 June, 2010.
    • Zhang, J.; Sullivan, M. B.; Zheng, J.W.; Loh, K.P., Wu, P. (2006) "Theoretical Study of Polyimide-Cu(100)/Ni(100) Adhesion", 2nd Material Research Society-Singapore, Singapore, 18-20 January, 2006.
    • Zhang, J.; Loh, K.P.; Wu, P.; Sullivan, M.B.; Yang, S.W.; Zheng, J.W. (2005) "Work Function and Polarization field of clean and functionalized (8,0) Boron Nitride Nanotubes", Singapore International Chemical Congerence 4, Singapore, 8-10 December, 2005.
    • Zhang, J.; Loh, K.P.; Wu, P.; Sullivan, M.B.; Yang, S.W.; Zheng, J.W. (2005) "Studies on the Work Function of Pure and H,F-modified BN Nanotubes" 16th Dianond and Related Materials Conference, Tolouse, France, 12-16 September, 2005.



    • Best Graduate Researcher Awards for excellence in Research, Faculty of Science, National University of Singapore, November 2006.
    • 2006 Chinese Government Award for Outstanding Self-financed Student Abroad, Ministry of Education, China, February 2007.
    • Graduate Researcher Awards for excellence in Research, Department of Chemistry, National University of Singapore, March 2007.

This page is last updated at: 13-JUN-2013