Research

Attempt for better computational methods,
illuminate the insight of chemistry

Please Click the blue titles or thumbnails for detailed information!!

Research 1. [Published]

Splitting of Hydrogen Atoms into Proton–Electron Pairs at BaO–Ru Interfaces for Promoting Ammonia Synthesis under Mild Conditions - Computational Study

J. Am. Chem. Soc. 2023, 145, 20, 11364–11374

   * Status: Published, J. Am. Chem. Soc. 2023, 145, 20, 11364–11374


Research 2. [On-going]

Time-domain ab initio analysis of facet-dependent carrier dynamics in Cuprous oxide

   * Status: On-going, Presented in a poster session of ISTCP 2024(Poster File)


Research 3. [On-going*]

Screening Pathways for Nitrogen Monoxide Electroreduction on Transition Metal on TPP using Density-Functional Theory



   * Status: Finished, Follow-up study performed by the co-worker(Junsoo Lee) will be published*


Research 4.

Synthesis, characterization, and application of various nanocatalysts

1) Mater. Res. Bull. 79 (2016): 97-104.,
2) https://commons.wikimedia.org/wiki/File:Transmission_electron_microscopy_%28TEM%29.png,
3) Adv. Sci. 10.9 (2023): 2207187.,
4) Catalysts 10.5 (2020): 473.

   * Status: Finished


Research 5.

Electrochemical Potential Window of Molecular Crowded Electrolyte with Various Li Salt

1) Science 2015, 350, 938-943

   * Status: Finished