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.)
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“Tuning Metal Single Atoms Embedded in NxCy Moiety Toward High-Performance Electrocatalysis.” Energy Environ. Sci. accepted (2021).
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“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).
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“Superb band alignment, defect tolerance, and carrier injection property of SnO2 electron transport layer for perovskite solar cells.” npj Computational Mater. 6, 100 (2020).
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“Superb water splitting activity of the electrocatalyst Fe3Co(PO4)4 designed with computation-aid.” Nat. Commun. 10, 5195 (2019).
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“Multicomponent electrocatalyst with ultralow Pt loading and high hydrogen evolution activity.” Nat. Energy 3, 773–782 (2018).
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“A new perspective on the role of A-site cations in perovskite solar cells.” Adv. Energy Mater. 8, 1702898 (2018).
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“Rashba-Dresselhaus effect in inorganic/organic lead iodide perovskite interfaces.” ACS Energy Lett. 3, 1294-1300 (2018).