Lee Tae Hun, Collins 이태훈
Research topics
- Theoretical surface and interface science
- Surfaces and interfaces of copper and its compounds
- Polymorphic expressions in metal oxides and their surfaces
Methods
- Density-functional theory (DFT) and beyond
- Ab initio atomistic thermodynamics (revised model for alloy surfaces)
- Theoretical spectroscopy and microscopy
Publications
- Y. Lee, T. Lee, and A. Soon, Polytypism in hexagonal tungsten trioxide: Insights from ab initio molecular dynamics simulations, accepted in J. Phys. Chem. C (2018)
- 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]
- 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]
- 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]
- 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]
- 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]
- 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]
- 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]
- 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]
- 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]
- T.-H. Lee, B. Delley, C. Stampfl, and A. Soon, Environment-dependent nanomorphology of TiN: Influence of surface vacancies, Nanoscale 4, 5183 (2012) [pdf]