|
Research
My scientific interests focus on
atomic and electronic structures of materials, defects in semiconductors
and insulators, electronic/ionic conduction and mass transport in large
band gap semiconductors, and mechanical properties of nanostructures.
Materials of interest are those for energy storage and conversion
applications: rechargeable alkali-ion battery electrodes and solid
electrolytes (electrical energy storage), hydrogen storage (storing
hydrogen for subsequent use), thermoelectrics (direct heat-to-electricity
conversion), and photovoltaics (direct solar-to-electricity conversion).
I studied for my Ph.D. at Michigan State University under
the supervision of Prof. S. D. Mahanti and was a postdoc
scholar in the group of Prof. Chris G. Van de Walle at the University of California,
Santa Barbara. Currently I am at George Mason University and Naval Research Laboratory.
Publications
In Journals
1. K. Hoang and M. D. Johannes,
"First-principles studies of the effects of impurities on the ionic
and electronic conduction in LiFePO4" Journal of Power
Sources (in press); arxiv:1201.4069.
2. M. D. Johannes, K. Hoang, J. L.
Allen, and K. Gaskell, "Hole polaron formation and migration in
olivine phosphate materials" (submitted to Physical Review B); arxiv:1111.6569.
3. K. Hoang, A. Janotti, and C. G.
Van de Walle, "Mechanisms for the decomposition and dehydrogenation of
Li amide/imide" (submitted to Physical Review B)
4. K. Hoang and C. G. Van de Walle,
"Mechanism for the decomposition of lithium borohydride,"
International Journal of Hydrogen Energy (2012); doi:10.1016/j.ijhydene.2012.01.002.
[8 pages]
5. K. Hoang, A. Janotti, and C. G.
Van de Walle, "Decomposition mechanism and the effects of metal
additives in the kinetics of lithium alanate," Physical Chemistry
Chemical Physics (2011); doi:10.1039/c2cp2325g.
[9 pages]
6. K. Hoang and M. Johannes,
"Tailoring native defects in LiFePO4: Insights from
first-principles calculations," Chemistry of Materials 23, 3003 (2011). [11 pages] PDF
7. K. Hoang, A. Janotti, and C. G.
Van de Walle, "The particle-size dependence of the activation energy
for decomposition of lithium amide," Angewandte Chemie
International Edition 50, 10170
(2011). [4 pages] PDF
8. K. Hoang, S. D. Mahanti, and M.
G. Kanatzidis, "Impurity clustering and impurity-induced bands in
PbTe-, SnTe-, and GeTe-based bulk thermoelectrics," Physical Review B 81, 115106 (2010). [15 pages] PDF
9. K. Hoang and C. G. Van de Walle,
"Hydrogen-related defects and the role of metal additives in the
kinetics of complex hydrides: A first-principles study," Physical Review B 80, 214109 (2009).
[10 pages] PDF
10. G. B. Wilson-Short, A. Janotti,
K. Hoang, A. Peles, and C. G. Van de Walle, "First-principles study of
the formation and migration of native defects in NaAlH4," Physical Review B 80, 224102 (2009). [8 pages] PDF
11. K. Hoang, A. Tomic, S. D.
Mahanti, T. Kyratsi, D.-Y. Chung, S. H. Tessmer, and M. G. Kanatzidis,
"Role of K/Bi disorder in the electronic structure of β-K2Bi8Se13,"
Physical Review B 80, 125112 (2009).
[8 pages] PDF
12. K. Hoang and S. D. Mahanti,
"Electronic structure of Ga-, In-, and Tl-doped PbTe: A supercell
study of the impurity bands," Physical Review B 78, 085111 (2008). [8 pages] PDF
13. K. Hoang and S. D. Mahanti,
"Atomic and electronic structures of thallium-based III-V-VI2
ternary chalcogenides: Ab initio calculations," Physical Review B 77, 205107 (2008).
[7 pages] PDF
14. L.-H. Ye, K. Hoang, A. J.
Freeman, S. D. Mahanti, J. He, T. M. Tritt, and M. G. Kanatzidis,
"First-principles study of the electronic, optical and lattice
vibrational properties of AgSbTe2," Physical Review B 77, 245203 (2008).
[6 pages] PDF
15. M.-K. Han, K. Hoang, H. Kong, P.
Pcionek, C. Uher, K. M. Paraskevopoulos, S. D. Mahanti, and M. G.
Kanatzidis, "Substitution of Bi for Sb and its role in the
thermoelectric properties and nanostructuring in Ag1-xPb18MTe20
(M=Bi, Sb)," Chemistry of Materials 20, 3512 (2008). [9 pages] PDF
16. K. Hoang, S. D. Mahanti, J. R.
Salvador, and M. G. Kanatzidis, "Atomic
ordering and gap formation in Ag-Sb-based ternary chalcogenides,"
Physical Review Letters 99, 156403 (2007). [4 pages] PDF
17. K. Hoang, S. D. Mahanti, and P.
Jena, "Theoretical study of
deep-defect states in bulk PbTe and in thin films," Physical Review B 76, 115432 (2007).
[18 pages] PDF
18. S. D. Mahanti, K. Hoang, and S.
Ahmad, "Deep defect states in narrow band-gap semiconductors," Physica B 401-402C, 291 (2007). [5 pages] PDF
19. J. R. Salvador, K. Hoang, S. D.
Mahanti, and M. G. Kanatzidis, "REAu2In4
(RE = La, Ce, Pr, and Nd): Polyindides from liquid Indium," Inorganic Chemistry 46, 6933 (2007). [9 pages] PDF
20. S. Ahmad, S. D. Mahanti, K. Hoang,
and M. G. Kanatzidis, "Ab
initio studies of the electronic structure of defects in PbTe," Physical Review B 74,
155205 (2006). [13 pages] PDF
21. S. Ahmad, K. Hoang, and S. D.
Mahanti, "Ab
initio study of deep defect states in narrow band-gap
semiconductors: Group III impurities in PbTe," Physical Review Letters 96,
056403 (2006). [4 pages] PDF
22. K. Hoang, K. Desai, and S. D.
Mahanti, "Charge ordering and
self-assembled nanostructures in a fcc Coulomb lattice gas," Physical Review B 72,
064102 (2005); selected for the Virtual Journal of
Nanoscale Science and Technology 12 (August 15, 2005). [5 pages] PDF
In Proceedings
1. S. D. Mahanti, K. Hoang, and S.
Ahmad, "Atomic ordering, electronic structure, and transport
properties of LAST-m systems," in Thermoelectric Power Generation, edited by
T.P. Hogan, J. Yang, R. Funahashi, and T. Tritt (Mater. Res. Soc. Symp.
Proc. 1044, Warrendale, PA, 2007), 1044-U04-06 (invited).
2. K. Hoang and S. D. Mahanti,
"Defect clustering and nanostructure formation in PbTe-based bulk
thermoelectrics," in Thermoelectric
Power Generation, edited by T.P. Hogan, J. Yang, R. Funahashi,
and T. Tritt (Mater. Res. Soc. Symp. Proc. 1044, Warrendale, PA,
2007), 1044-U02-08.
3. K. Hoang, S. D.
Mahanti, J. Androulakis, and M. G. Kanatzidis, "Electronic structure of AgPbmSbTem+2
compounds - Implications on thermoelectric properties,"
in Materials and Technologies
for Direct Thermal-to-Electric Energy Conversion, edited by J.
Yang, T.P. Hogan, R. Runahashi, and G.S. Nolas (Mater. Res. Soc. Symp.
Proc. 886, Warrendale, PA, 2006), 0886-F05-06.
4. H. Khang, S. D. Mahanti, B. K.
Rao, and P. Jena, "Magnetic
and thermal properties of interacting (MnxN) clusters,"
in Clusters and
Nano-Assemblies: Physical and Biological Systems, edited by P.
Jena, S. N. Khanna, and B. K. Rao, World Scientific, Singapore,
2005), p. 231.
Book Chapters
1. K. Hoang, M.-S. Lee, S. D. Mahanti,
and P. Jena, "Clusters: An embryonic form of crystals and
nanostructures," in Nanoclusters: A Bridge Across
Disciplines, edited by P. Jena and A. W. Castleman Jr. (Elsevier
Science & Technology, 2010)
Theses
1. Ph.D.: "Atomic and
electronic structures of novel ternary and quaternary narrow band-gap
semiconductors." [200 pages]
2. B.Sc. [in Vietnamese]:
"Double plasmon-pole approximation for semiconductor quantum wells at
finite temperatures." [58 pages] PDF
|
