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. 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, submitted
2. 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]
3. 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]
4. 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]
5. 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]
6. 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]
7. 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]
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. 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]
10. 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]
11. 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]
12. 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]
13. 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]
14. 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]
15. 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]
16. T.-H. Lee, B. Delley, C. Stampfl, and A. Soon, Environment-dependent nanomorphology of TiN: Influence of surface vacancies, Nanoscale 4, 5183 (2012) [pdf]