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Khang Hoang
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Origin of the structural phase transition in Li7La3Zr2O12
N Bernstein, MD Johannes, K Hoang
Physical Review Letters 109 (20), 205702, 2012
2192012
Ab initio studies of the electronic structure of defects in PbTe
S Ahmad, SD Mahanti, K Hoang, MG Kanatzidis
Physical Review B 74 (15), 155205, 2006
1662006
Tailoring native defects in LiFePO4: insights from first-principles calculations
K Hoang, M Johannes
Chemistry of Materials 23 (11), 3003–3013, 2011
1602011
Ab initio study of deep defect states in narrow band-gap semiconductors: Group III impurities in PbTe
S Ahmad, K Hoang, SD Mahanti
Physical Review Letters 96 (5), 056403, 2006
1542006
Atomic ordering and gap formation in Ag-Sb-based ternary chalcogenides
K Hoang, SD Mahanti, JR Salvador, MG Kanatzidis
Physical Review Letters 99 (15), 156403, 2007
1362007
Impurity clustering and impurity-induced bands in PbTe-, SnTe-, and GeTe-based bulk thermoelectrics
K Hoang, SD Mahanti, MG Kanatzidis
Physical Review B 81 (11), 115106, 2010
1192010
Defect chemistry in layered transition-metal oxides from screened hybrid density functional calculations
K Hoang, MD Johannes
Journal of Materials Chemistry A 2 (15), 5224-5235, 2014
1002014
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)
MK Han, K Hoang, H Kong, R Pcionek, C Uher, KM Paraskevopoulos, ...
Chemistry of Materials 20 (10), 3512-3520, 2008
962008
Hole polaron formation and migration in olivine phosphate materials
MD Johannes, K Hoang, JL Allen, K Gaskell
Physical Review B 85 (11), 115106, 2012
902012
First-principles study of the electronic, optical, and lattice vibrational properties of AgSbTe2
LH Ye, K Hoang, AJ Freeman, SD Mahanti, J He, TM Tritt, MG Kanatzidis
Physical Review B 77 (24), 245203, 2008
882008
Theoretical study of deep-defect states in bulk PbTe and in thin films
K Hoang, SD Mahanti, P Jena
Physical Review B 76 (11), 115432, 2007
842007
Understanding the electronic and ionic conduction and lithium over-stoichiometry in LiMn2O4 spinel
K Hoang
Journal of Materials Chemistry A 2 (43), 18271-18280, 2014
812014
Defect physics and chemistry in layered mixed transition metal oxide cathode materials: (Ni, Co, Mn) vs (Ni, Co, Al)
K Hoang, M Johannes
Chemistry of Materials 28 (5), 1325–1334, 2016
802016
Electronic structure of Ga-, In-, and Tl-doped PbTe: a supercell study of the impurity bands
K Hoang, SD Mahanti
Physical Review B 78 (8), 085111, 2008
712008
First-principles studies of the effects of impurities on the ionic and electronic conduction in LiFePO4
K Hoang, MD Johannes
Journal of Power Sources 206, 274-281, 2012
672012
Defect physics, delithiation mechanism, and electronic and ionic conduction in layered lithium manganese oxide cathode materials
K Hoang
Physical Review Applied 3 (2), 024013, 2015
612015
First-principles study of the formation and migration of native defects in NaAlH4
GB Wilson-Short, A Janotti, K Hoang, A Peles, CG Van de Walle
Physical Review B 80 (22), 224102, 2009
552009
Atomic and electronic structures of I-V-VI2 ternary chalcogenides
K Hoang, SD Mahanti
Journal of Science: Advanced Materials and Devices 1 (1), 51–56, 2016
422016
Na2Fe(C2O4)F2: A new iron-based polyoxyanion cathode for Li/Na ion batteries
W Yao, MT Sougrati, K Hoang, J Hui, P Lightfoot, AR Armstrong
Chemistry of Materials 29 (5), 2167–2172, 2017
412017
Atomic and electronic structures of thallium-based III-V-VI2 ternary chalcogenides: Ab initio calculations
K Hoang, SD Mahanti
Physical Review B 77 (20), 205107, 2008
412008
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Articles 1–20