Origin of the structural phase transition in Li7La3Zr2O12 N Bernstein, MD Johannes, K Hoang Physical Review Letters 109 (20), 205702, 2012 | 268 | 2012 |
Ab initio studies of the electronic structure of defects in PbTe S Ahmad, SD Mahanti, K Hoang, MG Kanatzidis Physical Review B—Condensed Matter and Materials Physics 74 (15), 155205, 2006 | 191 | 2006 |
Tailoring native defects in LiFePO4: insights from first-principles calculations K Hoang, M Johannes Chemistry of Materials 23 (11), 3003–3013, 2011 | 184 | 2011 |
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 | 164 | 2006 |
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 | 160 | 2007 |
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 | 132 | 2010 |
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 | 115 | 2014 |
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 | 103 | 2016 |
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 | 103 | 2008 |
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 | 101 | 2008 |
Hole polaron formation and migration in olivine phosphate materials MD Johannes, K Hoang, JL Allen, K Gaskell Physical Review B—Condensed Matter and Materials Physics 85 (11), 115106, 2012 | 96 | 2012 |
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 | 94 | 2014 |
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 | 86 | 2007 |
Electronic structure of Ga-, In-, and Tl-doped PbTe: a supercell study of the impurity bands K Hoang, SD Mahanti Physical Review B—Condensed Matter and Materials Physics 78 (8), 085111, 2008 | 83 | 2008 |
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 | 74 | 2015 |
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 | 73 | 2012 |
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 | 58 | 2009 |
[Topical Review] Defect physics in complex energy materials K Hoang, MD Johannes Journal of Physics: Condensed Matter 30 (29), 293001, 2018 | 53 | 2018 |
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 | 52 | 2017 |
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 | 46 | 2016 |