CONDENSED MATTER THEORY GROUP: PROFESSOR CATHERINE STAMPFL

DR. ALOYSIUS SOON

Assistant Professor at Yonsei University, Seoul, Korea (as of March 2010)

CONTACT DETAILS

Yonsei University
Department of Materials Science and Engineering
134 Shinchon-Dong, Seodaemun-Gu, 120-749, Seoul, Korea
Phone: +82-2-2123-5839
Fax: +82-2-312-5375
Email: aloysius.soon@yonsei.ac.kr
Web: http://mse.yonsei.ac.kr/mtg/

 

RESEARCH INTERESTS

Ab initio studies of the copper catalyst for industrial processes and energy production.

CODES

RECENT PUBLICATIONS

  1. A.Soon, T. Söhnel, H. Idriss, Plane-wave pseudopotential DFT study of CO adsorption on Cu2O (111) stoichiometric surface, Surf. Sci., 579, 131-140 (2005). [ Reprint download: pdf ]
  2. S.D. Senanayake, A. Soon, A. Kohlmeyer, T. Söhnel, H. Idriss, Carbon monoxide reaction with UO2(111) single crystal surfaces: a theoretical and experimental study, J. Vac. Sci. & Tech. A, 23(4), 1078 (2005). [ Reprint download: pdf ]
  3. A. Soon, M. Todorova, B. Delley, and C. Stampfl , Oxygen adsorption and stability of surface oxides on Cu(111): A first-principles investigation, Phys. Rev. B 73, 165424 (2006); selected for the May 15, 2006 issue of Virtual Journal of Nanoscale Science & Technology [ Reprint download: pdf ]
  4. A. Soon, M. Todorova, B. Delley and C. Stampfl, Thermodynamic stability and structure of copper oxide surfaces: A first-principles investigation, Phys. Rev. B 75 , 125420 (2007); selected for the April 2, 2007 issue of Virtual Journal of Nanoscale Science & Technology [ Reprint download: pdf ]
  5. A. Soon, L. Wong, M. Lee, M. Todorova, B. Delley and C. Stampfl, Nitrogen adsorption and thin surface nitrides on Cu(111) from first-principles, Surf. Sci., 601, 4775 (2007) [ Reprint download: pdf ]
  6. A. Soon, M. Todorova, B. Delley and C. Stampfl, Surface oxides of the oxygen-copper system: Precursors to the bulk oxide phase?, Surf. Sci., 601, 5809 (2007). [ Reprint download: pdf ]
  7. A. Das Arulsamy, A. Soon and C. Stampfl, Transport properties of YBa2Cu3O7-δ superconductors and electronic structure of Cu2O surfaces, to appear in YBCO Superconductors Research Advances, NOVA Science Publishers, New York (2008), accepted.
  8. A. Soon, L. Wong, B. Delley, and C. Stampfl, Morphology of copper particles in a nitrogen atmosphere: A first-principles investigation, Phys. Rev. B 77, 125423 (2008) [ Reprint download: pdf ]
  9. H. Zhang, A. Soon, B. Delley, and C. Stampfl, Aluminum adsorption on Ir(111) at a quarter monolayer coverage: A first-principles study, Appl. Surf. Sci., 254, 7655 (2008) [ Reprint download: pdf ]
  10. C. Stampfl, A. Soon, S. Piccinin, H. Q. Shi and H. Zhang, Bridging the temperature and pressure gaps: Close-packed transition metal surfaces in an oxygen environment, J. Phys.: Conden. Matter, 20, 184021 (2008). [ Reprint download: pdf ]
  11. H. Zhang, A. Soon, B. Delley, and C. Stampfl, Stability, structure and electronic properties of chemisorbed oxygen and thin surface oxides on Ir(111), Phys. Rev. B 78, 045436 (2008) [ Reprint download: pdf ]  
  12. C. Kocer, T. Abe, and A. Soon, The Z-phase in high Cr ferritic steels: a phase stability analysis, submitted
  13. M. Altarawneh, M. W. Radny, P. V. Smith, J. C. Mackie, E. M. Kennedy, B. Z. Dlugogorski, A. Soon, and C. Stampfl , 2-Chlorophenol Adsorption on Cu2O(110)CuO: A First-Principles Density-Functional Study, J. Chem. Phys. 130, 184505 (2009)
  14. D.-H. Lim, C. M. Lastoskie, A. Soon, U. Becker, Density-Functional Theory Simulation of Chloroethene Adsorption on Zerovalent Iron, submitted
  15. A. Soon, X.-Y. Cui, B. Delley, S.-H. Wei, and C. Stampfl, Native defect-induced multifarious magnetism in non-stoichiometric cuprous oxide: A first-principles study of bulk and surface properties of Cu2-δO , Phys. Rev. B, submitted (26 Sep 2008)
  16. M. Fronzi, A. Soon, B. Delley, E. Traversa, and C. Stampfl, Stability and morphology of cerium oxide surfaces in an oxidizing environment: A first-principles investigation, J. Chem. Phys. 131 104701 (2009)
  17. K. P. Bohnen, R. Heid, L. Pintschovius, A. Soon and C. Stampfl, Ab initio lattice dynamics and thermal expansion of Cu2O, Phys. Rev. B 80, 134304 (2009)
  18. M. J. Gladys, I. Kambali, M. A. Karolewski, A. Soon, C. Stampfl, and D. J. O'Connor, Comparison of Hydrogen and Deuterium Adsorption on Pd(100), J. Chem. Phys. 132 024714 (2010)
  19. X. M. Duan, O. Warschkow, A. Soon, B. Delley, and C. Stampfl, A Density Functional Study of Oxygen on Cu(100) and Cu(110) Surfaces, Phys. Rev. B 81, 075430 (2010)
  20. M. Altarawneh, M. W. Radny, P. V. Smith, J. C. Mackie, E. M. Kennedy, B. Z. Dlugogorski, A. Soon and C. Stampfl, Adsorption of 2-chlorophenol on Cu2O(111)-CuCUS: A first-principles density functional study, Appl. Surf. Sci. 256, 4764 (2010)
  21. T. I. Lee, Y.-D. Kim, C. Stampfl, A. Soon, and J. M. Myoung, Playing with Dimensions; Rational Design for Hetero-epitaxial p-n Junction, Nano Letters 12, 68 (2012)
  22. R.-Q. Zhang, C.-E. Kim, B. Delley, C. Stampfl, and A. Soon, A first-principles study of ultrathin nanofilms of MgO-supported TiN, Phys.Chem.Chem.Phys. 14, 2462 (2012)
  23. C. Li, J. Wallman, B. Delley, C. Stampfl, and A. Soon, A first-principles survey of early transition metal dopants in 4 cuprous oxide, Cu2O, submitted to Phys. Rev. B
  24. X. Y. Cui, A. Soon, A. E. Phillips, R. K. Zheng, Z. W. Liu, B. Delley, S. P. Ringer, and C. Stampfl, First principles study of 3d transition metal doped Cu3N, J. Magnet. Magn. Mater. 324, 3138 (2012)
  25. R. Q. Zhang, T. H. Lee, B.-D Yu, C. Stampfl, and A. Soon, The role of titanium nitride supports for single-atom platinum-based catalysts in fuel cell technology, Phys. Chem. Chem. Phys. 14, 16552 (2012)
  26. T. Lee, B. Delley, C. Stampfl, and A. Soon, Environment-dependent nanomorphology of TiN: Influence of surface vacancies, Nanoscale, 4 5183 (2012)

 

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