Institute of High Performance Computing


People: Vibrant & Dynamic Culture



Material Science & Engineering (MSE)

Dr. Andy NG Man Fai

Dr. Andy NG Man Fai

Research Interests:

  • Electronic and electrical properties of nanowires (NW)
  • Magnetic properties of organometallic sandwich molecular wires (SMW)
  • Optical properties of nanomaterials and light harvesting (LH) systems
  • Nanomaterials for energy applications such as solar cells and batteries


  • Ph.D., Theoretical Chemistry, The University of Hong Kong, 2003
  • B.Sc., Chemistry, The University of Hong Kong, 1998

Published Journals/ Articles:


    • “Unveiling stable group IV alloy nanowires via a comprehensive search and their electronic band characteristics”, M.-F. Ng* and T. L. Tan*, Nano Lett. 13, 4951 (2013). DOI: 10.1021/nl402987c
    • “Improved binding and stability in Si/CNT hybrid nanostructures via interfacial functionalization: a first-principles study”, V. V. Kulish, M.-F. Ng*, O. I. Malyi, P. Wu, and Z. Chen*, RSC Adv. 3, 8446 (2013). DOI: 10.1039/C3RA40340H
    • “Enhanced Li adsorption and diffusion in single-walled silicon nanotubes: an ab initio study”, V. V. Kulish, M.-F. Ng*, O. I. Malyi, P. Wu*, and Z. Chen*, ChemPhysChem 14, 1161 (2013). DOI: 10.1002/cphc.201300004
    • “Modulating the Electronic Properties of Germanium Nanowires via Applied Strain and Surface Passivation”, M. A. Sk, M.-F. Ng*, L. Huang, and K. H. Lim*, Phys. Chem. Chem. Phys. 15, 5927 (2013). DOI: 10.1039/C3CP43530J
    • “Enhanced Li adsorption and diffusion in silicon nanosheets based on first principles calculations”, V. V. Kulish, O. I. Malyi, M.-F. Ng*, P. Wu, and Z. Chen*, RSC Adv. 3, 4231 (2013). DOI: 10.1039/C3RA22740E
    • “Chemically doped radial junction characteristics in silicon nanowires”, M.-F. Ng* and S. W. Tong, Nano Lett. 12, 6133 (2012). DOI: 10.1021/nl302906k
    • “Origin of long-range ferromagnetic ordering in metal-organic frameworks with antiferromagnetic dimeric-Cu(II) building units”, L. Shen, S.-W. Yang*, S. Xiang, T. Liu, B. Zhao, M.-F. Ng, J. Gettlicher, J. Yi*, S. Li, L. Wang, J. Ding, B. Chen, S.-H. Wei, and Y. P. Feng*, J. Am. Chem. Soc. 134, 17290 (2012). DOI: 10.1021/ja3077654
    • “Half metal – semiconductor reversible switch in bimetallic sandwich molecular wire via redox reactions”, H. Da, H. M. Jin, K. H. Lim*, V. Ligatchev, M.-F. Ng, K. H. Khoo, and S.-W. Yang*, Nano Energy 1, 297 (2012). DOI: 10.1016/j.nanoen.2011.12.001
    • “Stress induced half-metallicity in surface defected germanium nanowires”, M. A. Sk, M.-F. Ng*, S.-W. Yang, and K. H. Lim*, Phys. Chem. Chem. Phys. 14, 1166(2012). DOI: 10.1039/C1CP22262G
    • “First-principles study of silicon nanowire approaching the bulk limit”, M.-F. Ng*, M. B. Sullivan, S. W. Tong, and P. Wu*, Nano Lett. 11, 4794 (2011). DOI: 10.1021/nl2026212
    • “Graphene Intermediate Layer in Tandem Organic Photovoltaic Cells”, S. W. Tong, Y. Wang, Y. Zheng, M.-F. Ng, and K. P. Loh*, Adv. Funct. Mater. 21, 4430 (2011). DOI: 10.1002/adfm.201101376
    • “Water induced electrical hysteresis in germanium nanowire: a theoretical study”, M. A. Sk, M.-F. Ng*, S.-W. Yang, and K. H. Lim*, Phys. Chem. Chem. Phys. 13, 11663 (2011). DOI: 10.1039/C1CP20228F
    • “Modulation of the work function of silicon nanowire by chemical surface passivation: a DFT study”, M.-F. Ng, L. Y. Sim, H. Da, H. Jin, K. H. Lim*, and S.-W. Yang*, Theor. Chem. Acc. 127, 689 (2010). DOI: 10.1007/s00214-010-0779-6
    • Evaluation of Sn Nanowire Encapsulated Carbon Nanotube for Li-ion Battery Anode by DFT Calculations”, M.-F. Ng, J. W. Zheng, and P. Wu*, J. Phys. Chem. C 114, 8542 (2010). DOI: 10.1021/jp100495y
    • Simplified model for ballistic current-voltage characteristic in cylindrical nanowires”, O. Kurniawan*, M.-F. Ng, W. S. Koh, Z. Y. Leong, and E. Li, Microelectronics Journal 41, 155 (2010). DOI: 10.1016/j.mejo.2010.01.013
    • “The mechanism of single-walled carbon nanotube growth and chirality selection induced by carbon atom and dimmer addition”, Q. Wang, M.-F. Ng, S.-W. Yang*, Y. Yang, and Y. Chen*, ACS Nano 4, 939 (2010). DOI: 10.1021/nn901761u
    • “Theoretical studies on structural, magnetic and spintronic characteristics of sandwiched EunCOTn+1 (n=1-4) clusters”, X. Y. Zhang, M.-F. Ng, Y. B. Wang, J. L. Wang*, and S.-W. Yang*, ACS Nano 3, 2515 (2009). DOI: 10.1021/nn900401b
    • “DFT study on nano structures of Sn/CNT complex for potential Li-ion battery application”, J. W. Zheng, S. M. L. Nai, M.-F. Ng, P. Wu*, J. Wei, and M. Gupta, J. Phys. Chem. C 113, 14015(2009). DOI: 10.1021/jp809266n
    • “Geometry dependent I-V characteristics of silicon nanowires”, M.-F. Ng*, L. Shen, L. Zhou, S.-W. Yang*, and V. B. C. Tan, Nano Lett. 8, 3662 (2008). DOI: 10.1021/nl801668p
    • “Role of hydroxyl groups in the formation of defect configurations in silicon devices”, V. Ligatchev, L. Y. Sim, M.-F. Ng, X. N. Xie, and S.-W. Yang*, J. Phys. D: Appl. Phys. 41, 245407 (2008). DOI: 10.1088/0022-3727/41/24/245407
    • “Charge-transfer based mechanism for half-metallicity and ferromagnetism in one-dimensional organometallic sandwich molecular wires”, L. Shen, S.-W. Yang*, M.-F. Ng, V. Ligatchev, L. Zhou, and Y. Feng, J. Am. Chem. Soc. 130, 13956 (2008). DOI: 10.1021/ja804053a
    • “Towards tuning of surface properties by atomic and molecular adsorption on boron-terminated cubic boron nitride”, M.-F. Ng, M. K. Teo, K. H. Lim, L. Zhou, M. B. Sullivan, and S.-W. Yang*, Diamond Relat. Mater. 17, 2048 (2008). DOI: 10.1016/j.diamond.2008.07.003
    • “One-dimensional iron-cyclopentadienyl sandwich molecular wire with half metallic, negative differential resistance and high spin filter efficiency properties”, L. Zhou, S.-W. Yang*, M.-F. Ng, M. B. Sullivan, V. B. C. Tan, and L. Shen, J. Am. Chem. Soc. 130, 4023 (2008). DOI: 10.1021/ja7100246
    • “Revealing the way of self-complementary dimerization for a shape-persistent macrocycle using DFT calculations”, M.-F. Ng and S.-W. Yang*, J. Phys. Chem. B 111, 13886 (2007). DOI: 10.1021/jp075219f
    • “Theoretical investigation of silicon nanowires: Methodology, geometry, surface modification, and electrical conductivity using a multiscale approach”, M.-F. Ng, L. Zhou, S.-W. Yang*, L. Y. Sim, V. B. C. Tan, and P. Wu, Phys. Rev. B 76, 155435 (2007). DOI: 10.1103/PhysRevB.76.155435
    • “Dimensionality dependence of optical properties and quantum confinement effects of hydrogenated silicon nanostructures”, M.-F. Ng and R. Q. Zhang*, J. Phys. Chem. B 110, 21528 (2006). DOI: 10.1021/jp063895w
    • “Potential visible light absorption in 3--diam carbon nanotubes”, M.-F. Ng, S. L. Sun, and R. Q. Zhang*, Phys. Rev. B 72, 033406 (2005). DOI: 10.1103/PhysRevB.72.033406
    • “A comparative study of optical properties of poly(9,9-dioctylfluorene) and poly(p-phenylenevinylene) oligomers”, M.-F. Ng, S. L. Sun, and R. Q. Zhang*, J. Appl. Phys. 97, 103513 (2005). DOI: 10.1063/1.1897832
    • Low-lying excited states of light-harvesting system II in purple bacteria”, Y. Zhao, M.-F. Ng, and G. H. Chen*, Phys. Rev. E 69, 032902 (2004). DOI: 10.1103/PhysRevE.69.032902
    • “Optical spectra of single-walled boron nitride nanotubes”, M.-F. Ng and R. Q. Zhang*, Phys. Rev. B 69, 115417 (2004). DOI: 10.1103/PhysRevB.69.115417
    • Low-lying excited states of light-harvesting systemII in purple bacteria”, M.-F. Ng, Y. Zhao, and G. H. Chen*, J. Phys. Chem. B 107, 9589 (2003). DOI: 10.1021/jp034320r
    • Optical properties of single-walled 4 carbon nanotubes”, W. Z. Liang, S. Yokojima, M.-F. Ng, G. H. Chen*, and G. Z. He, J. Am. Chem. Soc. 123, 9830 (2001). DOI: 10.1021/ja0160445
    • Theoretical investigation on theeffects of pi-conjugation attenuation of poly(p-phenylenevinylene) polymers uponincorporating 2,2"-bipyridines”, M.-F. Ng, S. Yokojima, D. H. Zhou, and G. H. Chen*, Chem. Phys. Lett. 327, 374 (2000). DOI: 10.1016/S0009-2614(00)00623-0

This page is last updated at: 04-NOV-2013