Title: Tailoring Native Defects in LiFePO4: Insights from First-Principles Calculations Author(s): Hoang, K; Johannes, M Source: Chemistry of Materials Volume: 23 Issue: 11 Pages: 3003-3013 Published: JUN 14 2011 Times Cited: 4 DOI: 10.1021/cm200725j
added
27-Jun-11
2.
Title: The Particle-Size Dependence of the Activation Energy for Decomposition of Lithium Amide Author(s): Hoang, Khang; Janotti, Anderson; Van de Walle, Chris G. Source: Angewandte Chemie-International Edition Volume: 50 Issue: 43 Pages: 10170-10173 Published: 2011 Times Cited: 0 DOI: 10.1002/anie.201100810
added
14-Nov-11
3.
Title: Impurity clustering and impurity-induced bands in PbTe-, SnTe-, and GeTe-based bulk thermoelectrics Author(s): Hoang, K; Mahanti, SD; Kanatzidis, MG Source: Physical Review B Volume: 81 Issue: 11 Published: MAR 2010 Times Cited: 10 DOI: 10.1103/PhysRevB.81.115106
added
14-Mar-11
4.
Title: First-principles study of the formation and migration of native defects in NaAlH4 Author(s): WILSON-SHORT, GB; JANOTTI, A; HOANG, K; et al. Source: PHYSICAL REVIEW B Volume: 80 Issue: 22 Published: 2009 Times Cited: 18 DOI: 10.1103/PhysRevB.80.224102
added
15-Jan-10
5.
Title: Hydrogen-related defects and the role of metal additives in the kinetics of complex hydrides: A first-principles study Author(s): HOANG, K; VAN DE WALLE, CG Source: PHYSICAL REVIEW B Volume: 80 Issue: 21 Published: 2009 Times Cited: 5 DOI: 10.1103/PhysRevB.80.214109
added
15-Jan-10
6.
Title: Role of K/Bi disorder in the electronic structure of beta-K2Bi8Se13 Author(s): HOANG, K; TOMIC, A; MAHANTI, SD; et al. Source: PHYSICAL REVIEW B Volume: 80 Issue: 12 Published: 2009 Times Cited: 2 DOI: 10.1103/PhysRevB.80.125112
added
26-Oct-09
7.
Title: Atomic and electronic structures of thallium-based III-V-VI2 ternary chalcogenides: Ab initio calculations Author(s): HOANG, K; MAHANTI, SD Source: PHYSICAL REVIEW B Volume: 77 Issue: 20 Pages: - Published: MAY 2008 Times Cited: 10 DOI: 10.1103/PhysRevB.77.205107
added
06-Oct-08
8.
Title: Electronic structure of Ga-, In-, and Tl-doped PbTe: A supercell study of the impurity bands Author(s): HOANG, K; MAHANTI, SD Source: PHYSICAL REVIEW B Volume: 78 Issue: 8 Pages: - Published: AUG 2008 Times Cited: 8 DOI: 10.1103/PhysRevB.78.085111
added
16-Oct-08
9.
Title: First-principles study of the electronic, optical, and lattice vibrational properties of AgSbTe2 Author(s): YE, LH; HOANG, K; FREEMAN, AJ; et al. Source: PHYSICAL REVIEW B Volume: 77 Issue: 24 Pages: - Published: JUN 2008 Times Cited: 15 DOI: 10.1103/PhysRevB.77.245203
added
06-Oct-08
10.
Title: 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) Author(s): HAN, MK; HOANG, K; KONG, HJ; et al. Source: CHEMISTRY OF MATERIALS Volume: 20 Issue: 10 Pages: 3512-3520 Published: MAY 27 2008 Times Cited: 21 DOI: 10.1021/cm703661g