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Su-Huai Wei

Principle Scientist and Group Manager

Photo of Su-Huai Wei
Phone: 
(303) 384-6666
Email: 
suhuai.wei@nrel.gov
At NREL Since: 
1985

Dr. Wei received his B.S. in Physics from Fudan University, Shanghai, China in 1981, and a Ph.D. in Physics from the College of William and Mary in Virginia in 1985 under the supervision of Prof. Henry Krakauer. His Ph.D. work is on the development of a general potential, self-consistent linearized augmented plane wave (LAPW) code to study electronic and structural properties of semiconductors, metal surfaces, d-band and f-band metals, and compounds. He joined NREL in 1985 as a postdoctoral researcher working with Dr. Alex Zunger. He is now a principal scientist and group manager of Theoretical Materials Science in the Center for Chemical and Materials Sciences. He has published more than 350 peer-reviewed papers, including more than 60 papers in Physical Review Letters. His papers have been cited more than 17,000 times (H index=68). He is a Fellow of the American Physical Society.

Research Interests 

  • Optoelectronic properties of photovoltaic and light-emitting materials
  • Defect physics in semiconductors and nano materials
  • Electronic structures and stabilities of alloys, superlattices, and interfaces
  • Magnetic properties of semiconductors
  • Electronic properties of organic and hybrid semiconductors
  • Energy storage materials.

Selected Publications 

  1. Huang, Bing; Xiang, H.J.; Xu, Q.; Wei, S.-H. (2013). "Design of ordered graphene oxides by first-principles based cluster expansion approach." Phys. Rev. Lett. (110); p. 085501. http://prl.aps.org/abstract/PRL/v110/i8/e085501.
  2. Dvorak, M.; Wu, Z.; Wei, S.-H. (2013). "Origin of the Variation of Exciton Binding Energy in Semiconductors." Phys. Rev. Lett. (110); http://prl.aps.org/abstract/PRL/v110/i1/e016402.
  3. Huang, B.; Xiang, H.J.; Yu, J.; Wei, S.-H. (2012). "Effective control of the charge and magnetic states of transition-metal atoms on single-layer boron nitride." Phys. Rev. Lett. (108); http://prl.aps.org/abstract/PRL/v108/i20/e206802.
  4. Kim, Y.-H.; Kang, J.; Wei, S.-H. (2010). "Origin of enhanced dihydrogen-metal interaction in carboxylate bridged Cu2-paddle-wheel frameworks." Phys. Rev. Lett. (105); p. 236105. http://prl.aps.org/abstract/PRL/v105/i23/e236105.
  5. Xiang, H.J.; Da Silva, J.L.F.; Branz, H.M.; Wei, S.-H. (2009). "Understanding the Clean Interface between Covalent Si and Ionic Al2O3." Phys. Rev. Lett. (103); p. 116101. http://prl.aps.org/abstract/PRL/v103/i11/e116101.
  6. Gai, Y.; Li, J.; Li, S.-S.; Xia, J.-B.; Wei, S.-H. (2009). "Design of Narrow-Gap TiO2: A Passivated Codoping Approach for Enhanced Photoelectrochemical Activity." Phys. Rev. Lett. (102); p. 36402. http://prl.aps.org/abstract/PRL/v102/i3/e036402.
  7. Walsh, A.; Da Silva, J.L.F.; S.-H. Wei, et al. (2008). "Nature of the band gap in In2O3 revealed by first-principles calculations and X-ray spectroscopy." Phys. Rev. Lett. (100); p. 167402. http://prl.aps.org/abstract/PRL/v100/i16/e167402.
  8. Wei, S.-H. (2004). "Overcoming the doping bottleneck in semiconductors." Computational Materials Science (30); p. 337. Accessed July 20, 2012: http://ac.els-cdn.com/S092702560400117X/1-s2.0-S092702560400117X-main.pdf?_tid=2....

NREL Publications 

View NREL Publications for this staff member.