Lee Tae Hun, Collins 이태훈

Member of MTG since September 2010

BS Yonsei University, Korea
Integrated PhD candidate (since March 2011)

Phone: +82-2-2123-7433
Room: Engineering B418
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. Lee, T. Lee, and A. Soon, Polytypism in hexagonal tungsten trioxide: Insights from ab initio molecular dynamics simulations, submitted
2. 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]
3. 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]
4. 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]
5. 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]
6. 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]
7. 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]
8. 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]
9. 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]
10. 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]
11. T.-H. Lee, B. Delley, C. Stampfl, and A. Soon, Environment-dependent nanomorphology of TiN: Influence of surface vacancies, Nanoscale 4, 5183 (2012) [pdf]