Lee Tae Hun, Collins 이태훈, PhD

Member of MTG since September 2010

BS PhD Yonsei University, Korea
Associated research fellow (since September 2019)

Current affiliation:
Postdoctoral Research Fellow
Selloni Group
Department of Chemistry, Princeton University, USA

Phone: +82-2-2123-7433
Room: Engineering B624
em@il | www

Google Scholar Profile

Research topics

• Theoretical surface and interface science
• Surfaces and interfaces of copper and its compounds
• Polymorphic expressions in metal oxides and their surfaces

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Methods

• Density-functional theory (DFT) and beyond
• Ab initio atomistic thermodynamics (revised model for alloy surfaces)
• Theoretical spectroscopy and microscopy

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Publications

1. Y.-J. Lee, T. T. Ly, T. Lee, K. Palotás, S. Y. Jeong, J. Kim, and A. Soon, submitted
2. G. Lee, H. Lee, T. Lee, and A. Soon, Defect-mediated ab initio thermodynamics of metastable γ-MoN(001), J. Chem. Phys., accepted (2021) In honor of Professor Dr. Habil. Catherine Stampfl FAA
3. 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, 16362 (2020) [pdf]
4. 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) [pdf]
5. 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) [pdf]
6. L. T. Trinh, 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) [pdf]
7. T. Lee, Y.-J. 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) [pdf]
8. 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) [pdf]
9. 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) [pdf]
10. 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]
11. 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]
12. 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]
13. 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]
14. 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]
15. 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]
16. 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]
17. 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]
18. T.-H. Lee, B. Delley, C. Stampfl, and A. Soon, Environment-dependent nanomorphology of TiN: Influence of surface vacancies, Nanoscale 4, 5183 (2012) [pdf]