Institute of High Performance Computing

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People

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Material Science & Engineering (MSE)

Dr. MA Xiufang

Dr. MA Xiufang


Research Interests:

  • Heterogeneous catalysis
  • Mechanism investigation of catalytic reactions and study of trends in chemical reactivity onmetal and oxide surfaces by DFT calculations
  • Investigations of surface structures and surface science phenomena of metals and oxides by DFT calculations

Qualifications:

  • B.S., Department of Applied Physics, Hunan University, China, 2006
  • M.S., College of Physics and Microelectronics Science, Hunan University, China, 2009
  • PhD, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, China, 2012

Published Journals/ Articles:

Journals

    • X. Ma, K. Sun, and W. X. Li, The progress of graphene growth mechanism on transition metal surfaces, Chin. Sci. Bull. 2012, 57, 987
    • B. Wang, X. Ma, M. Caffio, R. Schaub, and W. X. Li, Size-selective carbon nano-clusters as precursors to the growth of epitaxial grapheme, Nano Lett., 2011, 11, 424
    • X. Ma, H. Su, and W. X. Li, Carbon monoxide adsorption and dissociation on Mn decorated Rh(111) and Rh(553) surfaces: a first-principles study, Catal. Today, 2011, 160, 228
    • X. Ma, H. Deng, M. Yang, and W. X. Li, Atomic and molecular adsorption on Rh-Mn alloy surface: a first principles study, J. Chem. Phys., 2008, 129, 244711
    • Y. Zhao, K. Sun, X. Ma, J. Liu, D. Sun, H. Su, and W. X. Li. Carbon chain growth via formyl insertion on Rh and Co catalysts in syngas conversion, Angew. Chem. Int. Edit., 2011, 50, 5335
    • H. Su, X. Gu, X. Ma, Y. Zhao, X. Bao, and W. X. Li, Structure evolution of Pt-3d transition metal alloys under reductive and oxidizing conditions and effect on the CO oxidation: a first-principles study, Catal. Today, 2011, 165, 89
    • Y. Zhao, M. Yang, D. Sun, H. Su, K. Sun, X. Ma, X. Bao, and W. X. Li. Rh-Decorated Cu alloy catalyst for improved C2 oxygenate formation from syngas, J. Phys. Chem. C, 2011, 115, 18247
    • Z. Zeng, X. Ma, W. Ding, and W. X. Li. First-principles calculation of core-level binding energy shift in surface chemical processes. Sci. China Chem., 2010, 53, 1674
    • A. Resta, J. Gustafson, R. Westerstrom, A. Mikkelsen, E. Lundgren, J. N. Andersen, M. Yang, X. Ma, X. Bao, and W. X. Li. Step enhanced dehydrogenation of ethanol on Rh, Surf. Sci., 2008, 602, 3057

Conferences

    • Designing nano-sized graphene: a theoretical view, X. Ma, and W. X. Li, oral, the 18th International Vacuum Congress, 2010, Beijing, China
    • Graphene growth: density functional study of critical nucleus size, X. Ma, and W. X. Li, poster, the 11th National Congress on Quantum Chemistry, 2011, Hefei, China
    • The structure sensitivity of CO and H coadsorption on vicinal Rh surface, X. Ma, H. Deng, J. N. Andersen, and W. X. Li, oral, the 14th National Congress on Catalysis, 2008, Nanjing, China
    • Carbon monoxide and hydrogen adsorption on Rh(553) and Rh(322), X. Ma, H. Deng, J. N. Andersen, and W. X. Li, poster, the 14th International Congress on Catalysis, 2008, Seoul, Korea
    • Carbon monoxide and hydrogen adsorption on vicinal Rh surface, X. Ma, H. Deng, J. N. Andersen, and W. X. Li, poster, the 10th National Congress on Quantum Chemistry, 2008, Nanjing, China

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