PEER-REVIEWED PUBLICATION LIST

At JBNU:

2023

  1. X. Jin,† T. Lee,† A. Soon, and S.-J. Hwang,
    "Defect-assisted Transformation of MoS2 Nanosheets Into Defective MoS2 Nanoclusters to Regulate Sodium-ion Electrode Functionality",
    Under review (2023)
  2. T. Lee and A. Soon
    "The rise of ab initio surface thermodynamics",
    Under review (2023)

At PRINCETON:

  1. X. Jin,† T. Lee,† W. Tamakloe, S. B. Patil, A. Soon, Y.-M. Kang, and S.-J. Hwang,
    "In-situ Defect Engineering Route to Optimize the Cationic Redox Activity of Layered Double Hydroxide Nanosheet via Strong Electronic Coupling with Holey Substrate",
    Adv. Sci. 9, 2103368 (2022)
  2. T. Lee, M. Ferri, S. Piccinin, and A. Selloni,
    "Structure, Electronic Properties and Defect Chemistry of Delafossite CuRhO2 Bulk and Surfaces",
    Chem. Mater. 34, 1567 (2022)
  3. X. Jin,† K.-G. Lee,† T. Lee,† G. Lee, S. M. Oh, A. Soon, and S.-J. Hwang,
    "Composition-controlled Ultrathin Holey TiO1−xNx Nanosheets As Powerful Hybridization Matrices for Highly Mass-efficient Electrocatalysts",
    Chem. Eng. J. 437, 135415 (2022)
  4. T. Lee, M. Ferri, S. Piccinin, and A. Selloni,
    "Theoretical Insights into Photoelectrochemical Water Reduction on Delafossite CuRhO2",
    ACS Energy Lett. 7, 1528 (2022)
  5. T. Lee and A. Selloni,
    "Structure and Stability of Oxygen Vacancy Aggregates in Reduced Anatase and Rutile TiO2",
    J. Phys. Chem. C 127, 627 (2023)
  6. N. Kumar, Y. Lee, G. Lee, S. Lee, T. Lee, S.-H. Yoo, C. Stampfl, A. Soon, W. Jang,
    "Oxidic Structures on Copper-gold Alloy Nanofacets",
    Appl. Surf. Sci. 613, 155913 (2023)
  7. T. Lee and A. Selloni,
    "Deep and Shallow Gap States in Reduced and n-type Doped m-ZrO2",
    J. Phys. Chem. C (2023)

At YONSEI:

  1. T. Lee, B. Delley, C. Stampfl, and A. Soon,
    "Environment-dependent Nanomorphology of TiN: Influence of Surface Vacancies",
    Nanoscale 4, 5183 (2012)
  2. R. Q. Zhang, T. 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)
  3. 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)
  4. 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)
  5. 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)
  6. T. Lee, Y. Lee, S. Piccinin, and A. Soon,
    "Ab Initio Thermodynamics of Oxidic Surface Structures under Controlled Growth Conditions",
    J. Phys. Chem. C 121, 2228 (2017)
  7. 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)
  8. 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)
  9. J. Yun, W. Jang, Y. Lee, T. 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)
  10. Y.-J. Lee, T. Lee, and A. Soon,
    "Over-stoichiometry in Heavy Metal Oxides: The Case of Iono-covalent Tantalum Trioxides",
    Inorg. Chem. 57, 6057 (2018)
  11. Y. Lee,† T. Lee,† and A. Soon,
    "Polytypism in Hexagonal Tungsten Trioxide: Insights from Ab Initio Molecular Dynamics Simulations",
    J. Phys. Chem. C 122, 21644 (2018)
  12. T. Lee, Y. Lee, K. Palotás, G. Lee, C. Stampfl, and A. Soon,
    "Polymorphic Expressions of Ultrathin Oxidic Layers of Mo on Au(111)",
    Nanoscale 11, 6023 (2019)
  13. T. T. Ly,† T. Lee,† S. Kim, Y.-J. Lee, G. Duvjir, K. Jang, K. Palotás, S.-Y. Jeong, A. Soon, and J. Kim,
    "Growing Ultrathin Cu2O Films on Highly Crystalline Cu(111): A Closer Inspection from Microscopy and Theory",
    J. Phys. Chem. C 123, 12716 (2019)
  14. Y.-J. Lee, T. Lee, and A. Soon,
    "Phase Stability Diagrams of Group 6 Magnéli Oxides and their Implications for Photon-assisted Applications",
    Chem. Mater. 31, 4282 (2019)
  15. J. Lee, H. Kim, T. Lee, W. Jang, K. H. Lee, and A. Soon,
    "Revisiting Polytypism in Hexagonal Ternary Sulfide ZnIn2S4 for Photocatalytic Hydrogen Production within the Z-scheme",
    Chem. Mater. 31, 9148 (2019)
  16. G. Lee, Y.-J. Lee, K. Palotás, T. Lee,# and A. Soon,#
    "Atomic Structure and Work Function Modulations in Two-dimensional Ultrathin CuI Films on Cu(111) from First Principles",
    J. Phys. Chem. C, 124, 30 (2020)
  17. G. Lee, H. Lee, T. Lee,# and A. Soon,#
    "Defect-mediated Ab Initio Thermodynamics of Metastable Gamma-MoN(001)",
    J. Chem. Phys. 154, 064703 (2021)
  18. Y.-J. Lee, L. T. Trinh, T. Lee, K. Palotás, S.-Y. Jeong, J. Kim, and A. Soon,
    "Completing the Picture of Initial Oxidation on Copper",
    Appl. Surf. Sci. 562, 150148 (2021)


†: Equal contribution
#: Corresponding authors