Xin Liu

Postdoctoral Fellows

Associate Professor

Alumni

Social Profile:

Research Interests

​Dr. Liu’s research work focuses on theoretical study of functional materials, and especially the catalysts, which is one of the paramount fields to our society and its sustainable development. The nature of the active sites, the principles under reaction conditions, and especially the structural-functional relationship are studied first-principles based calculations, with special attention onto the new, stable and low cost materials with unexpected functional in particular activity and selectivity.​

Selected Publications

Liu, X.; Meng, C.; Han, Y.*, Substrate-mediated Enhanced Activity of Ru Nanoparticles in Catalytic Hydrogenation of Benzene. Nanoscale 2012, 4, DOI: 10.1039/C2NR00031H​

​​Liu, X.*; Li, L.; Meng, C. G.; Han, Y.* Palladium Nanoparticles/Defective Graphene Composites as Oxygen Reduction Electrocatalysts: A First-principles Study, Journal of Physical Chemistry C, 2012, 2710

Liu, X.*; Yao, K; Meng, C. G.; Han, Y.*, Graphene Substrate-Mediated Catalytic Performance Enhancement of Ru Nanoparticles: A First-principles Study, Dalton Transactions ​2012, 41,(4), 1289​

Zhang, J.; Liu, X.; Hedhili, M. N.; Zhu, Y.; Han, Y.*, Highly Selective and Complete Conversion of Cellobiose to Gluconic Acid over Au/Cs2HPW12O40 Nanocomposite Catalyst. ChemCatChem 2011, 3, (8), 1294​

Yao, K.; Liu, X.; Zhao, L.; Zeng, H.*; Han, Y.*, Site-specific Growth of Au Particles on ZnO Nanopyramids under Ultraviolet Illumination. Nanoscale 2011, 3, 4195

Education

  • Ph.D., School of Chemical Engineering, Dalian University of Technology, China, 2006
  • M.Sc., Department of Chemistry, Dalian University of Technology, China, 2004
  • B.Sc., School of Chemical Engineering, Dalian University of Technology, China, 1999

Professional Profile

  • ​2010-09 ~ now, Postdoctoral Fellow, King Abdullah University of Science and Technology, KSA.
  • 2010-02 ~ 2010-07, Visiting Scholar, Department of Physics, Rensselaer Polytechnic Institute, Troy, NY, USA.
  • 2006-10 ~ now, Lecturer,School of Chemistry, Dalian University of Technology, China.
  • 2006-07 ~ 2008-07, Visiting Scholar, State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Science​.

Non-KAUST Affiliations

​School of Chemistry, Dalian University of Technology, China

Research Interests Keywords

Materials modeling Catalysis Nanomaterials Numerical analysis