Overcoming the Limitations of Atomic-Scale Simulations on Semiconductor Catalysis with Changing Fermi Level and Surface Treatment

Seulgi Ji, Danlei Li, Hyun Seok Ko, Sung Beom Cho, Heechae Choi^*

^*Corresponding author for this work

Department of Chemistry and Materials Science

Research output: Contribution to journal › Article › peer-review

1 Citation (Scopus)

3 Presentation at conference/workshop/seminar
1 Invited talk

4 results
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Theory of photochemical reactions and catalysis near heterointerfaces and grain boundaries of semiconductor having defect segregations: Importance of space charge and Fermi level pinning
Heechae Choi (Invited speaker)
2 Jul 2025 → 4 Jul 2025
Activity: Talk or presentation › Presentation at conference/workshop/seminar
Theory model of photochemical and catalytic reactions near heterointerface and grain boundary having dopant segregations
Heechae Choi (Keynote speaker)
15 Jun 2025 → 19 Jun 2025
Activity: Talk or presentation › Presentation at conference/workshop/seminar
Theory of photochemical and catalytic reactions on wide band gap semiconductors
Heechae Choi (Invited speaker)
28 Nov 2024 → 30 Nov 2024
Activity: Talk or presentation › Presentation at conference/workshop/seminar
Mathematical model for nanoparticular Schottky-junction photoanode design
Heechae Choi (Invited speaker)
30 Sept 2024 → 1 Oct 2024
Activity: Talk or presentation › Invited talk