All Stories

  1. Rare-earth defects and defect-related luminescence in ZnS

    Article • Journal of Applied Physics, January 2022, American Institute of Physics

    Dr Khang Hoang

  2. Defect Physics, Delithiation Mechanism, and Electronic and Ionic Conduction in Layered Lithium Manganese Oxide Cathode Materials

    Article • Physical Review Applied, February 2015, American Physical Society (APS)

    Dr Khang Hoang

  3. Defect chemistry in layered transition-metal oxides from screened hybrid density functional calculations

    Article • Journal of Materials Chemistry A, January 2014, Royal Society of Chemistry

    Dr Khang Hoang

  4. Understanding the electronic and ionic conduction and lithium over-stoichiometry in LiMn2O4 spinel

    Article • Journal of Materials Chemistry A, January 2014, Royal Society of Chemistry

    Dr Khang Hoang

  5. The role of native defects in the transport of charge and mass and the decomposition of Li4BN3H10

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Dr Khang Hoang

  6. First-principles free energy calculations of the structural phase transition in LiBH 4 with I, Cl, Na, and K substitution

    Article • Physical Review B, December 2013, American Physical Society (APS)

    Dr Khang Hoang

  7. LiH as a Li+ and H− ion provider

    Article • Solid State Ionics, December 2013, Elsevier

    Dr Khang Hoang

  8. Tight-binding studies of bulk properties and hydrogen vacancies in KBH4

    Article • Computational Materials Science, November 2013, Elsevier

    Dr Khang Hoang

  9. Origin of the Structural Phase Transition in Li 7 La 3 Zr 2 O 12

    Article • Physical Review Letters, November 2012, American Physical Society (APS)

    Dr Khang Hoang

  10. First-principles studies of the effects of impurities on the ionic and electronic conduction in LiFePO4

    Article • Journal of Power Sources, May 2012, Elsevier

    Dr Khang Hoang

  11. Mechanism for the decomposition of lithium borohydride

    Article • International Journal of Hydrogen Energy, April 2012, Elsevier

    Dr Khang Hoang

  12. Hole polaron formation and migration in olivine phosphate materials

    Article • Physical Review B, March 2012, American Physical Society (APS)

    Dr Khang Hoang

  13. Mechanisms for the decomposition and dehydrogenation of Li amide/imide

    Article • Physical Review B, February 2012, American Physical Society (APS)

    Dr Khang Hoang

  14. Decomposition mechanism and the effects of metal additives on the kinetics of lithium alanate

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Dr Khang Hoang

  15. Formation of Small Hole Polarons in Olivine Phosphate Cathode Materials

    Article • January 2012, The Electrochemical Society

    Dr Khang Hoang

  16. The Particle-Size Dependence of the Activation Energy for Decomposition of Lithium Amide

    Article • Angewandte Chemie, July 2011, Wiley

    Dr Khang Hoang

  17. The Particle-Size Dependence of the Activation Energy for Decomposition of Lithium Amide

    Article • Angewandte Chemie International Edition, July 2011, Wiley

    Dr Khang Hoang

  18. Tailoring Native Defects in LiFePO 4 : Insights from First-Principles Calculations

    Article • Chemistry of Materials, June 2011, American Chemical Society (ACS)

    Dr Khang Hoang

  19. Publisher's Note: Impurity clustering and impurity-induced bands in PbTe-, SnTe-, and GeTe-based bulk thermoelectrics [Phys. Rev. B 81 , 115106 (2010)]

    Article • Physical Review B, March 2010, American Physical Society (APS)

    Dr Khang Hoang

  20. Impurity clustering and impurity-induced bands in PbTe-, SnTe-, and GeTe-based bulk thermoelectrics

    Article • Physical Review B, March 2010, American Physical Society (APS)

    Dr Khang Hoang

  21. Clusters

    Article • January 2010, Elsevier

    Dr Khang Hoang

  22. Hydrogen-related defects and the role of metal additives in the kinetics of complex hydrides: A first-principles study

    Article • Physical Review B, December 2009, American Physical Society (APS)

    Dr Khang Hoang

  23. First-principles study of the formation and migration of native defects in NaAlH 4

    Article • Physical Review B, December 2009, American Physical Society (APS)

    Dr Khang Hoang

  24. Role of K/Bi disorder in the electronic structure of β -K 2 Bi 8 Se 13

    Article • Physical Review B, September 2009, American Physical Society (APS)

    Dr Khang Hoang

  25. ChemInform Abstract: Substitution of Bi for Sb and Its Role in the Thermoelectric Properties and Nanostructuring in Ag1-xPb18MTe20(M: Bi, Sb) (x = 0, 0.14, 0.3).

    Article • ChemInform, August 2008, Wiley

    Dr Khang Hoang

  26. Electronic structure of Ga-, In-, and Tl-doped PbTe: A supercell study of the impurity bands

    Article • Physical Review B, August 2008, American Physical Society (APS)

    Dr Khang Hoang

  27. First-principles study of the electronic, optical, and lattice vibrational properties of AgSbTe 2

    Article • Physical Review B, June 2008, American Physical Society (APS)

    Dr Khang Hoang

  28. Atomic and electronic structures of thallium-based III-V-VI 2 ternary chalcogenides: Ab initio calculations

    Article • Physical Review B, May 2008, American Physical Society (APS)

    Dr Khang Hoang

  29. Substitution of Bi for Sb and its Role in the Thermoelectric Properties and Nanostructuring in Ag 1− x Pb 18 MTe 20 (M = Bi, Sb) ( x = 0, 0.14, 0.3)

    Article • Chemistry of Materials, May 2008, American Chemical Society (ACS)

    Dr Khang Hoang

  30. Deep defect states in narrow band-gap semiconductors

    Article • Physica B Condensed Matter, December 2007, Elsevier

    Dr Khang Hoang

  31. Atomic Ordering and Gap Formation in Ag-Sb-Based Ternary Chalcogenides

    Article • Physical Review Letters, October 2007, American Physical Society (APS)

    Dr Khang Hoang

  32. Theoretical study of deep-defect states in bulk PbTe and in thin films

    Article • Physical Review B, September 2007, American Physical Society (APS)

    Dr Khang Hoang

  33. REAu 2 In 4 (RE = La, Ce, Pr, Nd):  Polyindides from Liquid Indium

    Article • Inorganic Chemistry, August 2007, American Chemical Society (ACS)

    Dr Khang Hoang

  34. Defect Clustering and Nanostructure Formation in PbTe-based Bulk Thermoelectrics

    Article • MRS Proceedings, January 2007, Cambridge University Press

    Dr Khang Hoang

  35. Atomic Ordering, Electronic Structure, and Transport Properties of LAST-m Systems

    Article • MRS Proceedings, January 2007, Cambridge University Press

    Dr Khang Hoang

  36. Ab initio studies of the electronic structure of defects in PbTe

    Article • Physical Review B, October 2006, American Physical Society (APS)

    Dr Khang Hoang

  37. Erratum: Ab Initio Study of Deep Defect States in Narrow Band-Gap Semiconductors: Group III Impurities in PbTe [Phys. Rev. Lett. 96 , 056403 (2006)]

    Article • Physical Review Letters, April 2006, American Physical Society (APS)

    Dr Khang Hoang

  38. Ab Initio Study of Deep Defect States in Narrow Band-Gap Semiconductors: Group III Impurities in PbTe

    Article • Physical Review Letters, February 2006, American Physical Society (APS)

    Dr Khang Hoang

  39. Charge ordering and self-assembled nanostructures in a fcc Coulomb lattice gas

    Article • Physical Review B, August 2005, American Physical Society (APS)

    Dr Khang Hoang

  40. Electronic Structure of AgPbmSbTem+2 Compounds – Implications on Thermoelectric Properties

    Article • MRS Proceedings, January 2005, Cambridge University Press

    Dr Khang Hoang