Lab Home | Phone | Search
Center for Nonlinear Studies  Center for Nonlinear Studies
 Home 
 People 
 Current 
 Affiliates 
 Alumni 
 Visitors 
 Students 
 Research 
 ICAM-LANL 
 Quantum 
 Publications 
 Publications 
 2007 
 2006 
 2005 
 2004 
 2003 
 2002 
 2001 
 2000 
 <1999 
 Conferences 
 Workshops 
 Sponsorship 
 Talks 
 Colloquia 
 Colloquia Archive 
 Seminars 
 Postdoc Seminars Archive 
 Quantum Lunch 
 CMS Colloquia 
 Q-Mat Seminars 
 Q-Mat Seminars Archive 
 Archive 
 Kac Lectures 
 Dist. Quant. Lecture 
 Ulam Scholar 
 Colloquia 
 
 Jobs 
 Students 
 Summer Research 
 Student Application 
 Visitors 
 Description 
 Past Visitors 
 Services 
 General 
 PD Travel Request 
 
 History of CNLS 
 
 Maps, Directions 
 CNLS Office 
 T-Division 
 LANL 
 
Liujiang Zhou

Director's Fellow
T-1/CNLS

Theorical Materials Science

Liujiang Zhou

Office: TA-3, Bldg 1690, Room 130
Mail Stop: B258
Phone: (505) 500-5041
Fax: (505) 665-2659

ljzhou86@lanl.gov, liujiang86@gmail.com
home page

Research highlight
  • Zhou, L.; Zhuo, Z.; Kou, L.; Du, A.; Tretiak, S., Computational Dissection of Two-Dimensional Rectangular Titanium Mononitride TiN: Auxetics and Promises for Photocatalysis, Nano Lett.. 17,4466-4472 (2017).
 Educational Background/Employment:
  • Ph.D. (2014) University of Chinese Academy of Sciences, P. R. China
  • Employment:
    • 01/2017-present, Director's Fellow, T-1 and CNLS, Los Alamos National Lab, USA
    • 10/2014-12/2016 Postdoctoral Researcher, Bremen Center for Computational Materials Science, University of Bremen, Germany
    • 10/2014-10/2016 Visiting fellow, Max Planck Institute for Chemical Physics of Solids, Dresden, Germany
    • 08/2015 Visiting scholar, Institute of Physics, CAS, Beijing, China
    • 09/2015-10/2015 Visiting scholar, Queensland University of Technology, Brisbane, Austrlia
    • 06/2014-10/2014 Research Assistant, Fujian Institute of Research on the Structure of Matter, CAS, Fuzhou, China.

Research Interests:

  • Ab-initio materials simulation
  • Topological insulator and materials,
  • Optoelectronic materials and nonlinear optical crystals
  • Low-dimentional materials and Interfaces
  • Clean energy materials (Li-ion Batteries, Solar Cells, photocatalysis etc.)

Selected Recent Publications:

  1. Liu, P.-F.; Zhou, L.*; Tretiak, S.; Wu, L.-M.* Two-dimensional Hexagonal M3C2 (M= Zn, Cd, Hg) Monolayer: Novel Quantum Spin Hall Insulators and Dirac Cone Materials, J. Mater. Chem. C 5,9181-9187 (2017).
  2. Zhou, L.; Zhuo, Z.; Kou, L.; Du, A.; Tretiak, S. Computational Dissection of Two-Dimensional Rectangular Titanium Mononitride TiN: Auxetics and Promises for Photocatalysis, Nano Lett. 17,4466-4472 (2017).
  3. Liu, P.-F.; Zhou, L.; Frauenheim, T.; Wu, L.-M. Two-dimensional hydrogenated molybdenum and tungsten dinitrides MN2H2 (M= Mo, W) as novel quantum spin hall insulators with high stability, Nanoscale. 9,1007-1013 (2017).
  4. Zhou, L.*; Shao, B.; Shi, W.; Sun, Y.; Felser, C.; Yan, B.; Frauenheim, T. Prediction of the quantum spin Hall effect in monolayers of transition-metal carbides MC (M=Ti, Zr, Hf), 2D Mater. 3,35022 (2016).
  5. Zhou, L.*; Hou, Z.F.; gao, B.; Frauenheim, T. Doped Graphene as Anodes with Large Capacity for Lithium-Ion Batteries., J. Mater. Chem. A.4,13407-13413 (2016).
  6. Zhou, L.*; Shi, W.; Sun, Y.; Shao, B.; Felser, C.; Yan, B.; Frauenheim, T. Rectangular Tantalum Carbide Halides TaCX (X = Cl, Br, I) monolayer: Novel Large-Gap Quantum Spin Hall Insulator, 2D Mater.3,35018 (2016).
  7. Dong, H.; Zhou, L.*; Frauenheim, T.; Hou, T.; Lee, S.T.; Li, Y.* SiC 7 siligraphene: a novel donor material with extraordinary sunlight absorption., Nanoscale8,6994-6999 (2016).
  8. Zhou, L.*; Zhang, J.; Zhuo, Z.; Kou, L.; Ma, W.; Shao, B.; Du, A.; Meng, S.; Frauenheim, T. Novel Excitonic Solar Cells in Phosphorene-TiO2 Heterostructures with Extraordinary Charge Separation Efficiency., J. Phys. Chem. Lett.7,1880-1887 (2016).
  9. Zhou, L.*; Kou, L.; Sun, Y.; Felser, C.; Hu, F.; Shan, G.; Smith, S. C.; Yan, B.*; Frauenheim, T. New Family of Quantum Spin Hall Insulators in Two-Dimensional Transition-Metal Halide with Large Nontrivial Band Gaps., Nano Lett.15,7867-7872 (2015).
  10. Yu, P.; Wu, L. M.; Zhou, L. J.^; Chen, L. Deep-Ultraviolet Nonlinear Optical Crystals: Ba3P3O10X (X = Cl, Br)., J. Am. Chem. Soc.136,480-487 (2014).
  11. Zhou, L. J.*; Zhang, Y. F.; Wu, L. M. SiC2 Siligraphene and Nanotubes: Novel Donor Materials in Excitonic Solar Cell., Nano Lett.13,5431-5436 (2013).
  12. Lin, H.; Chen, L.; Zhou, L.-J.^; Wu, L.-M. Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12., J. Am. Chem. Soc.135,12914-12921 (2013).
  13. Zhou, L. J.; Hou, Z. F.; Wu, L. M.; Zhang Y.F.First-Principles Studies of Lithium Adsorption and Diffusion on Graphene with Grain Boundaries., J. Phys. Chem. C118,28055-28062 (2014).
  14. Chen, M. C.; Wu, L. M.; Lin, H.; Zhou, L. J.; Chen, L. Disconnection Enhances the Second Harmonic Generation Response: Synthesis and Characterization of Ba23Ga8Sb2S38., J. Am. Chem. Soc.134,6058-6060 (2012).
  15. Zhou, L. J.; Hou, Z. F.; Wu, L. M. First-Principles Study of Lithium Adsorption and Diffusion on Graphene with Point Defects., J. Phys. Chem. C116,21780-21787 (2015).
  16. Yu, P.; Zhou, L. J.^; Chen, L. Noncentrosymmetric Inorganic Open-Framework Chalcohalides with Strong Middle IR SHG and Red Emission: Ba3AGa5Se10Cl2 (A = Cs, Rb, K)., J. Am. Chem. Soc.134,2227-2235 (2012).
  17. Zhou, L. J.; Chen, L.; Li, J. Q.; Wu, L. M. First-principles studies on linear and nonlinear optical effects in Ln4GaSbS9 (Ln=Ce-Nd, Sm, Gd-Tm, Lu)., J. Solid State Chem.195,166-171 (2012).
LANL Operated by the Los Alamos National Security, LLC for the National Nuclear Security Administration of the US Department of Energy.
Copyright © 2003 LANS, LLC | Disclaimer/Privacy