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 I develop and apply the state-of-the-art computational methods to understand essential problems in chemistry, physics, and materials science with a particular emphasis on problems in surface chemistry. I provided important insights for emergent energy materials such as solar cells, light-emitting diodes and catalysis using the high-level quantum mechanical simulations. Theoretical understanding of such energy materials is of great importance for the design and development of efficient energy sources to mitigate climate change and to achieve a green economy.

 I’m Chang Woo Myung, an assistant professor in the Department of Chemistry at Chungnam National University. Before joining the faculty, I worked as a postdoc researcher at University of Cambridge with Prof. Angelos Michaelides and at ETH Zurich/USI with Prof. Michele Parrinello. I received my PhD in Chemistry under Prof. Kwang S. Kim at UNIST, Korea. Before that, I recieved my MS and BS at POSTECH, Korea.

 Selected Papers (see more publication here.)

  1. “Tuning Metal Single Atoms Embedded in NxCy Moiety Toward High-Performance Electrocatalysis.” Energy Environ. Sci. accepted (2021).

  2. “Prediction of a supersolid phase in high-pressure deuterium.” arXiv:2103.13974 “Anharmonicity‐Driven Rashba Cohelical Excitons Break Quantum Efficiency Limitation.” Adv. Mater. 33, 2005400 (2021).

  3. “Superb band alignment, defect tolerance, and carrier injection property of SnO2 electron transport layer for perovskite solar cells.” npj Computational Mater. 6, 100 (2020).

  4. “Superb water splitting activity of the electrocatalyst Fe3Co(PO4)4 designed with computation-aid.” Nat. Commun. 10, 5195 (2019).

  5. “Multicomponent electrocatalyst with ultralow Pt loading and high hydrogen evolution activity.” Nat. Energy 3, 773–782 (2018).

  6. “A new perspective on the role of A-site cations in perovskite solar cells.” Adv. Energy Mater. 8, 1702898 (2018).

  7. “Rashba-Dresselhaus effect in inorganic/organic lead iodide perovskite interfaces.” ACS Energy Lett. 3, 1294-1300 (2018).

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