Analysis of Unique Atomic and Electronic Structures of Oxygen Vacancies in Amorphous SnO 2 by First-Principles Calculations and Machine Learning

Shin Kiyohara

Presentation information

Oral Session

D. Frontiers of Advanced Electronic Materials » [D-3] Defect Functionalized Energy and Electronic Materials

[D3-O9] Slot 09

Thu. Dec 16, 2021 1:30 PM - 3:30 PM Room M (G312+313)

Chair: Tomofumi Tada (Kyushu University), Peter Sushko (Pacific Northwest National Laboratory)

2:15 PM - 2:30 PM

[D3-O9-03] Analysis of Unique Atomic and Electronic Structures of Oxygen Vacancies in Amorphous SnO 2 by First-Principles Calculations and Machine Learning

*Shin Kiyohara¹, David Mora Fonz², Alexander Shluger², Yu Kumagai¹, Fumiyasu Oba¹ (1. Lab. for Materials and Structures, Inst. of Innovative Research, Tokyo Inst .of Tech. (Japan), 2. Department of Physics and Astronomy, Univ. College London (UK))

Keywords:Point defect, Amorphous, First Principles Calculations, Machine Learning

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