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Publications:
[47] R. Kumar, E. Kim, and A. L. Cornelius,
" Structural Phase Transitions in the Potential Hydrogen Storage
Compound KBH4 under Compression",
J. Phys. Chem. C, accepted (2008).
[46] E. Kim, P. Weck, B. Naduvalath, and C. Bae,
"Nanoscale Building Blocks for the Development of Novel Proton-exchange
Membrane Fuel Cells"
,
J. Phys. Chem. B (Letter), 112, 3283 (2008).
[45] G. Miller, J. Kintigh, E. Kim, P. F. Weck, S. Berber, and D. Tomanek,
" Hydrogenation of Single-Wall Carbon Nanotubes Using Polyamine
Reagents: Combined Experimental and Theoretical Study"
",
JACS, 130, 2296 (2008).
[44] E. Kim, R. Kumar, P. F. Weck, A. L. Cornelius, M. Nicol, S. C. Vogel, J. Zhang, M. Hartl, A. Stowe, L. Daemen, and Y. Zhao,
" Pressure-driven phase transitions in NaBH4: Theory and experiments"
",
J. Phys. Chem. B 111 (Letter), 13873 (2007).
[43] O. Tschauner, B. Kiefer, Y. Lee, M. Pravica, M. Nicol, and E. Kim,
" Structural transition of PETN-I to ferroelastic orthorhombic phase PETN-III at elevated pressures ",
J. Chem. Phys. 127, 094502 (2007).
[42] P. F. Weck, E. Kim, N. Balakrishnan, F. Poineau, C. B. Yeamans,
K. R. Czerwinski,
" First-principles study of single-crystal uranium mono- and dinitride ",
Chem. Phys. Lett., 443, 82 (2007).
[41] E. Kim, T. Pang, W. Utsumi, V. L. Solozhenko, and Y. Zhao,
" Cubic phases of BC2N: A first-principles study
",
Phys. Rev. B. 75, 184115 (2007).
[40] P. F. Weck, E. Kim, N. Balakrishnan, H. Cheng, B. Yakobson
" Designing carbon nanoframeworks tailored for hydrogen storage ",
Chem. Phys. Lett. 439, 354 (2007).
[39] R. Kumar, E. Kim, O. Tschauner, A. Cornelius, M. P. Sulic,
and C. M. Jensen,
" Pressure-induced structural phase transition
in NaAlH4 ",
Phys. Rev. B. 75, 174110 (2007).
[38] P. F. Weck, T. J. Dhilip Kumar, E. Kim, and N. Balakrishnan,
" Computational study of hydrogen storage in organometallic compounds ",
J. Chem. Phys., 126, 094703 (2007).
[37] E. Kim, M. Nicol, H. Cynn, and C.S. Yoo,
" Martensitic fcc-to-hcp Transformations in Solid Xenon under Pressure: A First-Principles Study ",
Phys. Rev. Lett. 96, 035504 (2006).
[36] R. Kumar, A. Cornelius, E. Kim, Y. Shen, S. Yoneda, C. Chen, and M. Nicol,
"Novel Pressure Induced Structural Phase Transition in AgSbTe2",
Phys. Rev. B.72, 060101 (2005).
[35] I.-K. Oh, J. Singh, E. Kim and C. Chen,
"Transferable tight-binding model for germanium",
J. Non-Cryst. Solids , 351, 1192-1195 (2005).
[34] E. Kim and C. Chen,
"Calculation of bulk modulus for highly anisotropic materials",
Phys. Lett. A 326, 442 (2004).
[33] E. Kim and C. Chen,
"First-principles study of phase stability of BN under pressure",
Phys. Lett. A 319, 384 (2003).
[32] E. Kim and C. Chen,
"Local bonding behavior and domain size relation for vacancy lines on Si(001)",
Phys. Rev. B 66, 205418 (2002).
[31] E. Kim and C. Chen,
"Distribution of dimer vacancy lines on Si(001)",
Phys. Lett. A 310, 484 (2002).
[30] S. M. Lee, E. Kim, and Y. H. Lee,
"Dimer-exchange mechanism in surfactant-mediated Si/Ge epitaxial growth",
J. Phys. Chem. B 106(Letter), 891 (2002).
[29] E. Kim, C. Chen, Th. Kohler, M. Elstner, and Th. Frauenheim,
"Theoretical study of a body centered tetrahedron phase of carbon nitrides",
Phys. Rev. B 64, 094107 (2001).
[28] E. Kim and C. Chen,
"Stability of tetragonal crystalline carbon nitride: the nitrogen content dependence",
Phys. Lett. A 282, 415 (2001).
[27] E. Kim, C. Chen, Th. Kohler, Elstner, and Th. Frauenheim,
"Tetragonal crystalline Carbon Nitrides: Theoretical Prediction",
Phys. Rev. Lett. 86, 652 (2001).
[26] E. Kim, C. Chen, T. Pang, and Y. H. Lee,
"Ordering of Dimer Vacancies on Si(100) surface",
Phys. Rev. B 60, 8680 (1999).
[25] E. Kim, Y. H. Lee, C. Chen, and T. Pang,
"Vacancies in a-Si: A tight-binding molecular dynamics approach",
Phys. Rev. B 59, 2723 (1999).
[24] E. Kim, S. M. Lee, and Y. H. Lee,
"Transferable tight-binding approach of Si-H interactions",
Mat. Res. Soc. Symp. Proc. 491, 347 (1998).
[23] S.M. Lee, E. Kim, Y.H. Lee, and N. Kim,
"Ge(Si) orderings on double-layer stepped Si(Ge)(001)surfaces",
J. Kor. Phys. Soc. 33, 684 (1998).
[22] E. Kim, C. W. Oh, and Y. H. Lee,
"Surfactant-mediated Si/Ge epitaxial crystal growth",
Mat. Res. Soc. Symp. Proc. 448, 135 (1997).
[21] E. Kim, Y. H. Lee, C. Chen, and T. Pang,
"Structural relaxation of vacancies in amorphous silicon",
Mat. Res. Soc. Symp. Proc. 467 (1997).
[20] E. Kim, C. W. Oh, and Y. H. Lee,
"Diffusion mechanism of Si adatom on a double-layer stepped Si(001) surface",
Phys. Rev. Lett. 79, 4621 (1997).
[19] E. Kim and Y. H. Lee,
"Defects in Amorphous Si{1-x} Gex Alloys: An Explanation of ESR Signals",
Europhys. Lett. 40, 147 (1997).
[18] E. Kim, Y. H. Lee, C. Chen, and T. Pang,
"Structural and Vibrational properties of amorphous Si{1-x} Gex Alloys: An ab initio
molecular-dynamics study",
Phys. Rev. B 56, 10200 (1997).
[17] E. Kim and Y. H. Lee,
"Electronic structure of vacancies in amorphous silicon",
Phys. Rev. B 51(Brief Report), 5429 (1995).
[16] C. W. Oh, E. Kim, and Y. H. Lee
"Kinetic role of a surfactant in island formation",
Phys. Rev. Lett. 76, 776 (1996).
[15] E. Kim and Y. H. Lee,
"Structure of Si1-xGex alloys",
J. Kor. Phys. Soc. 28, 172 (1995).
[14] E. Kim and Y. H. Lee,
"Phase separation of Si1-xGex alloys",
Proc. Mat. Res. Soc. 378, 1031 (1995).
[13] Y. H. Lee, E. Kim, D.-H. Oh, C. W. Oh,
"Fragmentation of C60, C70 by tight-binding molecular-dynamics approach",
Synthetic Metals 70, 1495 (1995).
[12] E. Kim and Y. H. Lee,
"Transferable tight-binding parameters of Si-H systems",
J. Phys.: Conden. Matt. 6, 9561 (1994).
[11] E. Kim and Y. H. Lee,
"Structural, electronic, vibrational properties of liquid and amorphous silicon: Tight-binding molecular
dynamics approach",
Phys. Rev. B 49, 1743 (1994).
[10] Y. H. Lee, E. Kim, D.-H. Oh, C. W. Oh,
"Fragmentation of C60, C70, and bulk C60",
Proceedings of International Conference on Science and Technology of Synthetic Metals ,
July 24-29, Seoul, Korea
[9] Y. H. Lee and E. Kim,
"Is the vacancy in a-Si different from that in c-Si?",
Proc. 22nd International Conference for Physics of Semiconductors ,
August 15-20, 1994, Vancouver, Canada
[8] Y. H. Lee, E. Kim, and M. Parrinello,
"Dynamics of Growth of Si on vicinal silicon (100) surface",
Proc. 4th Semicon. Phys. Res. Center ,
Jeonju (1993).
[7] E. Kim, Y. H. Lee, and J. Y. Lee,
"Fragmentation of C60 and C70 clusters",
Phys. Rev. B 48, 18230 (1993).
[6] E. K. Song, E. Kim, Y. H. Lee, and Y. G. Huang,
"Fully relaxed point defects in crystalline silicon",
Phys. Rev. B 48, 1486 (1993).
[5] S. J. Woo, E. Kim, and Y. H. Lee,
"Geometric, electronic, and vibrational properties of C50, C60, C70, C80",
Phys. Rev. B 47, 6721 (1993).
[4] M. S. Ko, E. Kim, S. J. Woo, D. H. Oh, E. K. Song, and Y. H. Lee,
"Study of C:H interactions via tight binding method",
New Phys. (Kor.) 33, 68 (1993).
[3] E. Kim, Y. H. Lee, and B. J. Min,
"Thermal dissociation of H2* complexes in silicon",
J. Kor. Phys. Soc. 26, s107 (1993).
[2] S. J. Woo, E. Kim, S. H. Lee, L. Y. Lee, I. C. Jeon, and S. Y. Hwang,
"Bulk modulus of C_{60} molecule via tight binding method",
Phys. Lett. A 162, 501 (1992).
[1] E. Kim, Y. H. Lee, K. H. Lee, and H. J. Lee,
"Structural stability and vibrational properties of hydrogen complexes in silicon",
J. Phys.: Condens. Matter 4, 6443 (1992).
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Eunja Kim, University of Nevada Las Vegas
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