Nanyang Technology University

Academic Profile
Asst Prof Lim Kok Hwa

Assistant Professor 
Division of Chemical and Biomolecular Engineering 
School of Chemical and Biomedical Engineering 
College of Engineering 



Email: KOKHWA@ntu.edu.sg
Phone: (+65)6514 1909 
Office: N1.2-B1-13 
Education
  • PhD Technical University of Munich 2006
  • MSc(Chem.Eng) The National University of Singapore 2002
  • BSc(Hons) The National University of Singapore 1997
Biography
Asst. Prof Dr. Lim Kok Hwa received his B.Sc. (Hons 1) in Computational Science and Chemistry as well as his M.Sc.(Chemical Engineering) from the National University of Singapore. He later obtained his doctorial degree from the Technical University of Munich. Asst. Prof. Lim is currently in the School of Chemical and Biomedical Engineering, Nanyang Technological University since August 2006. His research interests include computational chemistry and material science, heterogeneous catalytic reactions, and QSAR analysis of biological activity.
Research Interests
Computational chemistry and material sciences
Nanowires, Si and Ge semi-conducting materials
Heterogeneous catalytic reactions and surface sciences
Green Chemistry and processes
QSAR analysis of biological activity
Research Grant
  • Academic Research Fund Tier 1 (2011-) [by MOE]
  • NTU Internal Funding - New Initiative Funding (2011-)
  • NTU Internal Funding - Start Up Grant - College of Engineering (2006-) [by College of Engineering]
Current Projects
  • Designing of novel pi-conjugated molecular photonics from first principle
  • Investigation and understanding of nano-bio and nano-hybrid interfacial systems for energy and medical applications
  • Synthesis of New Donor-Acceptor Materials for Organic Photovoltaic Cells
  • Theoretical design of novel PdZn alloy catalysts for methanol steam reforming: Hydrogen production for fuel cell
  • Theoretical investigation of Ge and SiGe nanowire
  • Understanding the chemistry and crystallization process of energetic materials
Selected Publications
  • A.B. Mohammad, K.H. Lim, I.V. Yudanov, K.M. Neyman, N. Rosch. (2007). A Computational Study of H2 Dissociation on Silver Surfaces: The Effect of Oxygen in the Added Row Structure. Physical Chemistry Chemical Physics, 9, 1247-1254.
  • K.H. Lim, Z-X. Chen, K.M. Neyman, N. Rosch. (2006). Adsorption of acrolein on single-crystal silver surfaces: Density function studies. Chemical Physics Letters, 420, 60-64.
  • K.H. Lim, Z.X. Chen, K.M. Neyman, M. Rosch. (2006). Comparative theoretical study of fomaldehyde decomposition on PdZn, Cu and Pd surfaces. Journal of Physical Chemistry B, 110, 14890-14897.
  • K.H. Lim, L.V. Moskaleva, N. Rosch. (2006). Surface composition of the catalysts used for methanol steam reforming: A thermodynamic analysis. ChemPhysChem, 7, 1802-1812.
  • K.H. Lim, K.M. Neyman, N. Rosch. (2006). Destabilization of adsorbed CO on the Pd(111) surface by subsurface carbon: Density functional studies. Chemical Physics Letters, 432, 184-189.
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