Postdoctoral Researcher
Dr. Xu graduated from the physics department of East China University of Science & Technology and earned his Ph.D. degree from Institute of Semiconductors, Chinese Academy of Science in 2008. Qiang worked as a research fellow at Nanyang Technological University for two years. His research is focused on calculating and simulating the fundamental properties and electronic structures of materials using the first-principles method, such as doping in quantum dot and wires, band offset and deformation potential of semiconductors, and strain distribution in quantum dot. Qiang joined the Computational Materials Science Team at NREL as a postdoctoral researcher in March of 2010. Dr. Xu is currently working on computational design and characterization of nanoscale materials for hydrogen storage, high-capacity batteries, and fuel cells, using quantum mechanical electronic structure and molecular dynamics simulation techniques.
Research Interests
- Low-dimensional systems (quantum dots, nanotube and nanowires, and surfaces)
- Doping in semiconductors.
- Solar cell and lithium ion batteries.
Selected Publications
- Xu, Q.; Ban, C.; Dillon, A. C.; Wei, S.-H.; Zhao, Y. (2011). "First-Principles Study of Lithium Borocarbide as a Cathode Material for Rechargeable Li ion Batteries." J. Phys. Chem. Lett. (2); p. 1129.
- Xu, Q.; Fan, W.; Kuo, J.-L. (2010). "The natural valence band offset of dilute GaAs1-xNx and GaAs: The first-principles approach." Comp. Mater. Sci. (49); p. S150.
- Xu, Q.; Li, J.; Li, S.-S.; Xia, J.-B. (2008). "The formation and electronic structures of 3d transition-metal atoms doped in silicon nanowires." J. Appl. Phys. (104); p. 84307.
- Xu, Q.; Luo, J.-W.; Li, S.-S.; Xia, J.-B.; Li, J.; Wei, S.-H. (2007). "Chemical trends of defect formation in Si quantum dots: The case of group-III and group-V dopants." Phys. Rev. B. (75); p. 235304.
