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Peer-reviewed journals

2018

  1. M. E. Kilic and A. Soon, Understanding the enhancement of ionic transport in heterogeneously-doped zirconia by heterointerface engineering for solid oxide fuel cell applications, submitted
  2. Y. Lee, T. Lee, and A. Soon, Temperature-dependent microstructural evolution of hexagonal tungsten trioxide polytypes, Insights from ab initio molecular dynamics calculations, submitted
  3. J. Kim, H. Kim, M. E. Kilic, C. Gayner, R. Koltun, H. Park, A. Soon, J. E. Bowers, C. Palmstrom, and W. Kim, Effect of phonon confinement on the thermal conductivity of In0.53Ga0.47As nanofilms, submitted
  4. R. Cheula, A. Soon, and M. Maestri, Morphological changes of catalyst materials in reacting conditions by combined ab initio thermodynamics and microkinetic modelling, accepted in Catal. Sci. Technol.
  5. Y.-J. Lee, T. Lee, and A. Soon, Over-stoichiometry in heavy metal oxides: The case of iono-covalent tantalum trioxides, Inorg. Chem. DOI: 10.1021/acs.inorgchem.8b00578 (2018)
  6. D.-H. Jung, J.-H. Lee, M. E. Kilic, and A. Soon, Anisotropic vacancy-mediated phonon mode softening in Sm and Gd doped ceria, Phys. Chem. Chem. Phys. 20, 10048 (2018) [pdf]
  7. A. Giri, H. Yang, W. Jang, J. Kwak, K. Thiyagarajan, M. Pal, D. Lee, R. Singh, C. Kim, K. Cho, A. Soon, and U. Jeong, Synthesis of atomically thin transition metal ditelluride films by rapid chemical transformation in solution phase, Chem. Mater. 30, 2463 (2018) [pdf]
  8. W. Jang, J. Yun, T. Lee, Y. Lee, and A. Soon, Disentangling the effects of inter- and intra-octahedral distortions on the electronic structure in binary metal trioxides, J. Phys. Chem. C 122, 3558 (2018) [pdf]
  9. C. In, S. Sim, B. Kim, H. Bae, H. Jung, W. Jang, M. Son, J. Moon, M. Salehi, A. Soon, M.-H. Ham, H. Lee, S. Oh, D. Kim, and H. Choi, Control over electron-phonon interaction by Dirac plasmon engineering in the topological insulator Bi2Se3, Nano Lett. 18, 734 (2018) [pdf]
  10. Y.-J. Tak, S. Yang, H. Lee, D.-H. Lim, and A. Soon, Examining the rudimentary steps of the oxygen reduction reaction on single-atomic Pt using Ti-based non-oxide supports, J. Ind. Eng. Chem. 58, 208 (2018) [pdf]
2017

  1. W. Jang, J. Lee, C. In, H. Choi, and A. Soon, Designing two-dimensional Dirac heterointerfaces of few-layer graphene and tetradymite-type Sb2Te3 for thermoelectric applications, ACS Appl. Mater. Interfaces 9, 42050 (2017) [pdf]
  2. J.-H. Lee, J. Yun, T. Lee, and A. Soon, Ab initio surface phase diagram of Sn/Cu(001): Reconciling experiments with theory, Phys. Rev. Applied 8, 034010 (2017) [pdf]
  3. K. Kang, W. Jang, and A. Soon, Assembling phosphorene flexagons for 2D electron-density-guided nanopatterning and nanofabrication, Nanoscale 9, 10465 (2017) [pdf]
  4. A. Giri, H. Yang, K. Thiyagarajan, W. Jang, J.-M. Myoung, R. Singh, A. Soon, K. Cho, and U. Jeong, One-step solution phase growth of transition metal dichalcogenide thin films directly on solid substrates, Adv. Mater. 29, 1700291 (2017) [pdf]
  5. C.-E. Kim, S.-H. Yoo, D. F. Bahr, C. Stampfl, and A. Soon, Uncovering the thermo-kinetic origins of phase ordering in mixed-valence antimony tetroxide by first-principles modeling, Inorg. Chem. 56, 6545 (2017) [pdf]
  6. Y.-K. Jung, J.-H. Lee, A. Walsh, and A. Soon, Influence of Rb/Cs cation-exchange on inorganic Sn halide perovskites: From chemical structure to physical properties, Chem. Mater. 29, 3181 (2017) [pdf]
  7. G. Park, J. Lee, S. Moon, H. Yang, A. Giri, J. Kwak, Y.-K. Jung, A. Soon, and U. Jeong, Eventual chemical transformation of metals and chalcogens into metal chalcogenide (M2X3) nanoplates through surface nucleation-detachment-reorganization mechanism, Chem. Mater. 29, 3219 (2017) [pdf]
  8. J. Yun, W. Jang, T. Lee, Y. Lee, and A. Soon, Aligning the band structures of polymorphic molybdenum oxides and organic emitters in light-emitting diodes, Phys. Rev. Applied 7, 024025 (2017) [pdf]
  9. T. Lee, Y. Lee, S. Piccinin, and A. Soon, Ab initio thermodynamics of surface oxide structures under controlled growth conditions, J. Phys. Chem. C 121, 2228 (2017) [pdf]
  10. S. Yang, Y.-J. Tak, J. Kim, A. Soon, and H. Lee, Support effect in single-atom platinum catalyst for electrochemical oxygen reduction, ACS Catal. 7, 1301 (2017) [pdf]
  11. J. Y. Lee, J.-H. Lee, M. J. Kim, J. K. Dash, C. H. Lee, R. Joshi, A. Soon, and G. H. Lee, Direct observation of grain boundaries in chemical vapor deposited graphene, Carbon 115, 147 (2017) [pdf]
  12. D. Lee, J. Tan, K. H. Chae, B. Jeong, A. Soon, S.-J. Ahn, J. Kim, and J. Moon, Chemically driven enhancement of oxygen reduction electrocatalysis in supported perovskite oxides, J. Phys. Chem. Lett. 8, 235 (2017) [pdf]
2016

  1. J. M. Skelton, L. A. Burton, S. C. Parker, A. Walsh, C.-E. Kim, A. Soon, J. Buckeridge, A. A. Sokol, C. R. A. Catlow, A. Togo, and I. Tanaka, Anharmonicity in the high-temperature Cmcm phase of SnSe: Soft modes and three-phonon interactions, Phys. Rev. Lett. 117, 075502 (2016) [pdf, arXiv]
  2. J.-H. Park, J.-H. Lee, and A. Soon, Organics on oxidic metal surfaces: A first-principles DFT study of PMDA and ODA fragments on the pristine and mildly oxidized surfaces of Cu(111), Phys. Chem. Chem. Phys. 18, 21893 (2016) [pdf]
  3. W. Jang, K. Kang, and A. Soon, Acute mechano-electronic responses in twisted phosphorene nanoribbons, Nanoscale 8, 14778 (2016) [pdf]
  4. T. Lee, Y. Lee, W. Jang, and A. Soon, Understanding the advantage of hexagonal WO3 as an efficient photoanode for solar water splitting: A first-principles perspective, J. Mater. Chem. A 4, 11498 (2016) [pdf]
  5. Y. Lee, T. Lee, W. Jang, and A. Soon, Unraveling the intercalation chemistry of hexagonal tungsten bronze and its optical responses, Chem. Mater. 28, 4528 (2016) [pdf]
  6. J.-H. Lee, J.-H. Park, and A. Soon, Assessing the influence of van der Waals corrected exchange-correlation functionals on the anisotropic mechanical properties of coinage metals, Phys. Rev. B 94, 024108 (2016) [pdf]
  7. T. Lee, Y. Lee, K. Kang, and A. Soon, In search of non-conventional surface oxidic motifs of Cu on Au(111), Phys. Chem. Chem. Phys. 18, 7349 (2016) [pdf]
  8. S. Yang, J. Kim, Y.-J. Tak, A. Soon, and H. Lee, Single-atom catalyst of platinum supported on titanium nitride for selective electrochemical reactions, Angew. Chem. Int. Ed. 55, 2058 (2016) Selected as HOT PAPER [pdf]
  9. S.-H. Yoo, J.-H. Lee, Y.-K. Jung, and A. Soon, Exploring stereographic surface energy maps of cubic metals via an effective pair-potential approach, Phys. Rev. B 93, 035434 (2016) [pdf]
  10. C.-E. Kim, A. Soon, and C. Stampfl, Unraveling the origins of conduction band valley degeneracies in Mg2Si1-xSnx thermoelectrics, Phys. Chem. Chem. Phys. 18, 939 (2016) [pdf, arXiv]
2015

  1. K. R. Lim, C.-E. Kim, Y. S. Yun, W. T. Kim, A. Soon, and D.-H. Kim, Remarkably stable amorphous metal oxide grown on Zr-Cu-Be metallic glass, Sci. Rep. 5, 18196 (2015) [pdf]
  2. H. Yang, C.-E. Kim, A. Giri, A. Soon, and U. Jeong, Synthesis of surfactant-free SnS nanoplates in aqueous solution, RSC Adv. 5, 94796 (2015) [pdf]
  3. W. Jang, K. Kang, and A. Soon, Remarkably low-energy one-dimensional fault line defects in single-layered phosphorene, Nanoscale 7, 19073 (2015) [pdf, arXiv]
  4. C.-E. Kim, J. M. Skelton, A. Walsh, and A. Soon, Solid-state chemistry of glassy antimony oxides, J. Mater. Chem. C 3, 11349 (2015) [pdf, arXiv]
  5. J. Kwak, C.-E. Kim, Y. Min, J.-H. Lee, A. Soon, and U. Jeong, Effect of Se doping on the growth of Te nanorods, CrystEngComm 17, 5734 (2015) [pdf]
  6. Y.-J. Tak, W. Jang, N. A. Richter, and A. Soon, A rational computational study of surface defect-mediated stabilization of low-dimensional Pt nanostructures on TiN(100), Phys. Chem. Chem. Phys. 17, 9680 (2015) [pdf, Erratum]
  7. S. Yang, D. Y. Chung, Y.-J. Tak, J. Kim, H. Han, J.-S. Yu, A. Soon, Y.-E. Sung, and H. Lee, Electronic structure modification of platinum on titanium nitride resulting in enhanced catalytic activity and durability for oxygen reduction and formic acid oxidation, Appl. Catal. B: Environ. 174, 35 (2015) [pdf]
  8. C.-E. Kim, Y.-J. Tak, K. T. Butler, A. Walsh, and A. Soon, Lattice-mismatched heteroepitaxy of IV-VI thin films on PbTe(001): An ab initio study, Phys. Rev. B 91, 085307 (2015) [pdf]
  9. C.-E. Kim, D.-H. Lim, J. H. Jang, H. J. Kim, S. P. Yoon, J.-H Han, S. W. Nam, S.-A. Hong, A. Soon, and H. C. Ham, Effect of gold subsurface layer on the surface activity and segregation in Pt/Au/Pt3M (where M = 3d transition metals) alloy catalyst from first-principles, J. Chem. Phys. 142, 034707 (2015) [pdf]
  10. Y. Kwon, A. Soon, H. Han, and H. Lee, Shape effect of cuprous oxide particles on stability in water and photocatalytic water-splitting, J. Mater. Chem. A 3, 156 (2015) [pdf]
2014

  1. N. A. Richter, C.-E. Kim, C. Stampfl, and A. Soon, Revisiting the O/Cu(111) system – When metastable surface oxides could become an issue!, Phys. Chem. Chem. Phys. 16, 26735 (2014) [pdf, arXiv]
  2. Y. Min, J. Kwak, A. Soon, and U. Jeong, Nonstoichiometric nucleation and growth of multicomponent nanocrystals in solution, Acc. Chem. Res. 47, 2887 (2014) Invited Review Article [pdf]
  3. C. Li, T. Winzer, A. Walsh, B. Yan, C. Stampfl, and A. Soon, Stacking-dependent energetics and electronic structure of ultrathin polymorphic V2VI3 topological insulator nanofilms, Phys. Rev. B 90, 075438 (2014) [pdf, arXiv]
  4. S.-H. Yoo, K. T. Butler, A. Soon, A. Abbas, J. M. Walls, and A. Walsh, Identification of critical stacking faults in thin‐film CdTe solar cells, Appl. Phys. Lett. 105, 062104 (2014) [pdf]
  5. S.-H. Yoo, J.-H. Lee, B. Delley, and A. Soon, Why does bromine square palladium off? An ab initio study of brominated palladium and its nanomorphology, Phys. Chem. Chem. Phys. 16, 18570 (2014) [pdf]
  6. Y. Min, G. D. Moon, C.-E. Kim, J.-H. Lee, H. Yang, A. Soon, and U. Jeong, Solution-based synthesis of anisotropic metal chalcogenide nanocrystals and their applications, J. Mater. Chem. C 2, 6222 (2014) Invited Feature Article; Cover Article [pdf]
  7. J. Jeon, A. Soon, and B.-D. Yu, Interfacial properties in ultrathin MgO films on TiN(001) surfaces: Ab initio calculations, J. Korean Phys. Soc. 64, 289 (2014) [pdf]
  8. S.-H. Yoo, A. Walsh, D. O. Scanlon, and A. Soon, Electronic structure and band alignment of zinc nitride, Zn3N2, RSC Adv. 4, 3306 (2014) [pdf]
2013

  1. R. Q. Zhang, C.-E. Kim, B.-D. Yu, C. Stampfl, and A. Soon, Mitigation of CO poisoning on functionalized Pt/TiN surfaces, Phys. Chem. Chem. Phys. 15, 19450 (2013) [pdf]
  2. A. Soon, J. Wallman, B. Delley, and C. Stampfl, Early transition metal dopants in cuprous oxide: To spin or not to spin, Curr. Appl. Phys. 13, 1707 (2013) [pdf]
  3. J. Park, H.-K. Lee, A. Soon, A. P. Singh, H.-J. Shin, J.-Y. Kim, B. D. Yu, and S. Hong, Thermally-induced desulfurization: Structural transformation of thiophene on the Si(100) surface, J. Phys. Chem. C 117, 11731 (2013) [pdf]
  4. K.-A. Min, J. Park, J. Ryou, A. Soon, and S. Hong, Polar oxide substrates for graphene growth: A first-principles investigation of graphene on MgO(111), Curr. Appl. Phys. 13, 803 (2013) [pdf]
  5. J. Jeon, A. Soon, J. Park, S. Hong, K. Cho, and B.-D. Yu, Adsorption and surface diffusion of Pt atoms on hydroxylated MgO(001) surfaces, J. Phys. Soc. Jpn. 82, 034603 (2013) [pdf]
  6. I. Son, S. Lee, A. Soon, H. Roh, and H. Lee, Steam treatment on Ni/γ-Al2O3 for enhanced carbon resistance in combined steam and carbon dioxide reforming of methane, Appl. Catal. B: Environ. 134–135, 103 (2013) [pdf]
  7. R. B. Zhao, S. Lee, I. Son, H. Lee, and A. Soon, First-principles based phenomenological study of Ni nanocubes: The effects of nanostructuring on carbon poisoning of Ni(001) nanofacets, Appl. Surf. Sci. 265, 339 (2013) [pdf]
2011 - 2012

  1. 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) Special issue on Computational Catalysis and Materials for Energy Production, Storage and Utilization [pdf]
  2. S.-J. Lee, Y.-K. Lee, and A. Soon, The austenite/ε martensite interface: A first-principles investigation of the fcc Fe(111)/hcp Fe(0001) system, Appl. Surf. Sci. 258, 9977 (2012) [pdf]
  3. T.-H. Lee, B. Delley, C. Stampfl, and A. Soon, Environment-dependent nanomorphology of TiN: Influence of surface vacancies, Nanoscale 4, 5183 (2012) [pdf]
  4. M. Li, Z. Wang, R. Q. Zhang, and A. Soon, Size and dimension effect on volume plasmon energy of nanomaterials, Solid State Comm. 152, 1564 (2012) [pdf]
  5. 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. Magn. Magn. Mater. 324, 3138 (2012) [pdf]
  6. J. Jeon, A. Soon, J.-N. Yeo, J. Park, S. Hong, K. Cho, and B.-D. Yu, Ab initio study of interactions of gold atoms with hydroxylated MgO(001) surfaces, J. Phys. Soc. Jpn. 81, 054601 (2012) [pdf]
  7. R. Q. Zhang, C.-E. Kim, B. Delley, C. Stampfl, and A. Soon, A first-principles investigation of MgO-supported ultrathin TiN nanofilms, Phys. Chem. Chem. Phys. 14, 2462 (2012) [pdf]
  8. T.-I. Lee, S.-H. Lee; Y.-D. Kim, W.-S. Jang, J.-Y. Oh, H.-K. Baik, C. Stampfl, A. Soon, and J.-M. Myoung, Playing with dimensions: Rational design for hetero-epitaxial p-n junctions, Nano Lett. 12, 68 (2012) [pdf, suppm]
2010

  1. 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) [pdf]
  2. X. 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) [pdf]
  3. M. J. Gladys, I. Kambali, M. A. Karolewski, A. Soon, C. Stampfl, and D. J. O'Conner, Comparison of hydrogen and deuterium adsorption on Pd(100) by low energy ion recoil spectroscopy, J. Chem. Phys. 132, 024714 (2010) [pdf]
2009

  1. 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) [pdf]
  2. 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) [pdf]
  3. M. Altarawneh, M. W. Radny, P. V. Smith, J. C. Mackie, E. M. Kennedy, B. Z. Dlugogorski, A. Soon, and C. Stampfl, A first-principles density functional study of chlorophenol adsorption on Cu2O(110)CuO, J. Chem. Phys. 130, 184505 (2009) [pdf]
  4. D.-H. Lim, C. M. Lastoskie, A. Soon, U. Becker, Density-functional theory studies of chloroethene adsorption on zerovalent iron, Environ. Sci. Technol. 43, 1192 (2009) [pdf]
  5. C. Kocer, T. Abe, and A. Soon, The Z-phase in 9-12% Cr ferritic steels; a phase stability analysis, Mater. Sci. Eng. A, 505, 1 (2009) [pdf]
  6. 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 79, 035205 (2009) [pdf]
2008

  1. 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) [pdf]
  2. 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) [pdf]
  3. 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); selected for the April 7, 2008 issue of Virtual Journal of Nanoscale Science & Technology [pdf]
  4. 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) [pdf]
2007
  1. 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) [pdf]
  2. 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) [pdf]
  3. 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 [pdf, Erratum]
2006
  1. 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 [pdf]
2005

  1. S. D. Senanayake, A. Soon, A. Kohlmeyer, T. Söhnel, and H. Idriss, Carbon monoxide reaction with UO2(111) single crystal surfaces: A theoretical and experimental study, J. Vac. Sci. & Tech. A 23, 1078 (2005) [pdf]
  2. A. Soon, T. Söhnel, and H. Idriss, Plane-wave pseudopotential DFT study of CO adsorption on Cu2O(111) stoichiometric surface, Surf. Sci. 579, 131 (2005) [pdf]

Book chapters

  1. A. Das Arulsamy, A. Soon, and C. Stampfl, Transport properties of YBa2Cu3O7-δ superconductors and electronic structure of Cu2O surfaces, Chapter 1, pp.11 - 51, YBCO Superconductors Research Progress, NOVA Science Publishers, New York (2008), ISBN: 978-1-60456-083-1

Patents

  1. A. Soon, 위상 절연체의 임계 적층두께 도출방법 Deduction method of critical laminate thickness for topological insulator, Korean Patent Number 10-1772636, August 23 (2017)
MATERIALS THEORY GROUP