Eunja Kim, PhD : Publications



PCCP Cover image
Philippe F. Weck, Eunja Kim, et al.,
"Dimer-Induced Stabilization of H Adsorbate Cluster on BN(0001) Surface"
JPCB Cover image
Eunja Kim et al.,
"Nanoscale building blocks for the development of novel proton-exchange membrane fuel cells"
JCP Cover image
K. Chang, E. Kim, P. F. Weck, D. Tománek, "Nanoconfinement effects on the reversibility of hydrogen storage in ammonia borane: A first-principles study", J. Chem. Phys., Vol. 134, June 7, 2011


Publications:

[72] Silva G. W. C., Weck P. F., Kim E., Yeamans C. B., Cerefice G. S., Sattelberger A. P., Czerwinski K. R., "Crystal and electronic structures of neptunium nitrides synthesized using a fluoride route", J. Am. Chem. Soc. 134, 3111 (2012).
[71] Poineau F., Johnstone E., Weck P. F., Kim E., Conradson S. D., Sattelberger A. P., Czerwinski K. R., "On the structure of β-molybdenum dichloride", Inorg. Chem. , in press (2012).
[70] Lavina, B.,Dera P., Kim E., Meng Y., Downs R. T., Weck P. F., Sutton S. R. and Zhao Y., "Discovery of the recoverable high-pressure iron oxide Fe4O5" , Proc. Natl. Acad. Sci. USA 108, 17281 (2011).
[69] Chang K., Kim E., Weck P. F., Tománek D., "Nanoconfinement effects on the reversibility of hydrogen storage in ammonia borane: A first-principles study", J. Chem. Phys. 134, 214501 (2011) [June 7, 2011 Cover Page]. (Top 20 most downloaded paper from the June 2011 volume of J. Chem. Phys.).
[68] Weck P. F., Kim E., Czerwinski K. R., "Interplay between structure, stoichiometry and properties of technetium nitrides", Dalton Trans. 40, 6738 (2011) [selected as Dalton Transactions "Hot Article"].
[67] Poineau F., Malliakas C. D., Weck P. F., Scott B. L., Johnstone E. V., Forster P. M., Kim E., Kanatzidis M. G., Czerwinski K. R., Sattelberger A. P., "Technetium Dichloride: A New Binary Halide Containing Metal-Metal Multiple Bonds", J. Am. Chem. Soc. 133 (Communication), 8814 (2011).
[66] Weck P. F., Gong C.-M. S., Kim E., Thuery P., Czerwinski K. R., "One-dimensional uranium-organic coordination polymers: Crystal and electronic structures of uranyl-diacetohydroxamate", Dalton Trans. 40, 6007 (2011).
[65] Weck P. F., Sergeeva A. P., Kim E., Boldyrev A. I., Czerwinski K. R., "Chemical bonding and aromaticity in trinuclear transition-metal halide clusters", Inorg. Chem. 50, 1039 (2011).
[64] F. Poineau, E. Johnstone, P. Weck, E. Kim, P. Forster, B. Scott, A. P. Sattelberger, K. R. Czerwinski, "Synthesis and Structure of Technetium Trichloride", J. Am. Chem. Soc. 132, 15864 (2010).
[63] P. Weck, E. Kim, F. Poineau, E. E. Rodriguez, A. P. Sattelberger, K. R. Czerwinski, "Structural and electronic trends in rare-earth technetate pyrochlores", Dalton Trans. 39 (Communication), 7207 (2010) [selected as Dalton Transactions "Hot Article"].
[62] M. Pravica, M. Galley, E. Kim, P. Weck, Z. Liu, "A far- and mid-infrared study of HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) under high pressure", Chem. Phys. Lett. 500, 28 (2010).
[61] P. Weck, E. Kim, K. R. Czerwinski, D. Tomanek, "Structural and magnetic properties of Tcn@C60 endohedral metalofullerenes: First-principles predictions, Phys. Rev. B 81, 125448 (2010).
[60] F. Poineau, T. Hartmann, P. Weck, E. Kim , G. W. C. Silva, G. Jarvinen, K. R. Czerwinski, "Structural studies of technetium-zirconium alloys by X-ray diffraction, high-resolution electron microscopy, and first-principles calculations", Inorg. Chem. 49, 1433 (2010).
[59] M. Pravica, E. Kim, S. Tkachev, P. Chow, Y. M. Xiao, "High-pressure studies of melamine", High Pressure Research 30, 65 (2010).
[58] P. Weck, E. Kim , K. R. Czerwinski, "First-principles study of the hexahalogenotechnetate(IV) ions [TcX6]2- [X = Cl, Br]", Chem. Phys. Lett. 487, 190 (2010).
[57] P. Weck, E. Kim, B. Masci, P. Thuery, and K. R. Czerwinski, "Density Functional Analysis of the Trigonal Uranyl Equatorial Coordination in Hexahomotrioxacalix[3]arene-based Macrocyclic Complexes", Inorg. Chem. 49, 1465 (2010).
[56] P. Weck, E. Kim, F. Poineau, K. R. Czerwinski, "Structural evolution and properties of subnanometer Tcn (n = 2-15) clusters", Phys. Chem. Chem. Phys. 11, 10003 (2009).
[55] R. Kumar, S. Rekhi, D. Prabhakaran, M. Somayazulu, E. Kim, J. Cook, T. Stemmler, A. Boothrhoyd, M. Chance, and A. Cornelius, "Structural studies on Na0.75CoO2 thermoelectric material at high pressures", Sol. Stat. Commun. 149, 1712 (2009).
[54] P. Weck, E. Kim, F. Poineau, E. Rodriguez, A. Sattelberger, and K. Czerwinski, "Technetium(IV) Halides Predicted from First-Principles", Inorg. Chem. 48, 6555 (2009).
[53] S. Tkachev, M Pravica, E. Kim, and P. weck, "Raman spectroscopic study of cyclopentane at high pressure", J. Chem. Phys., 130, 204505 (2009).
[52] P. Weck, C. Gobin, E. Kim, and M. Pravica, "Organic Cyclic Difluoramino-nitramines: Infrared and Raman Spectroscopy of 3,3,7,7-tetrakis(difluoramino)octahydro 1,5-dinitro-1,5-diazocine (HNFX)", J. Raman Spectro., 40, 964 (2009).
[51] S. Lee, E. Kim , and C. Kim, "Unzipping of single-walled carbon nanotubes: A tight-binding molecular-dynamics study", J. Kor. Phys. Soc. 54, 682 (2009).
[50] S. Tkachev, M. Pravica, E. Kim, E. Romano, and P. Weck, "High pressure studies of 1,3,5,7-cyclooctatetraene: Experiment and Theory", J. Phys. Chem. A. 112, 11501 (2008).
[49] E. Kim, P. Weck, S. Berber, and D. Tomanek, "Mechanism of fullerene hydrogenation by polyamines: ab initio density functional calculations", Phys. Rev. B 78, 113404 (2008).
[48] P. Weck, E. Kim, S. Lepp, B. Naduvalath, and H. Sadeghpour, "Dimer-Induced Stabilization of H Adsorbate Cluster on BN(0001) Surface", Phys. Chem. Chem. Phys. 10 (Communication), 5184 (2008). [September 14, 2008 Cover Page].
[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 112, 8452 (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", J. Am. Chem. Soc. 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. D. 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 (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).




Research | Contact | Links | Home

Eunja Kim, University of Nevada Las Vegas
kimej AT physics.unlv.edu

Last update: February 16, 2012