September 16 (Monday) to 20 (Friday): Presentation and exhibition at the 85th Autumn Meeting of the Japan Society of Applied Physics.

シュレーディンガー

Schrödinger, Inc. will be presenting and exhibiting at the 85th Autumn Meeting of the Japan Society of Applied Physics from September 16 (Monday) to September 20 (Friday). 【Presentation】 Date and Time: September 18 (Wednesday) 13:30 - 13:45 Title: "Exploration of New Titanium Nitride Structures Using Local Formal Charge" Presenter: Yuta Aoki, Schrödinger, Inc. Location: Niigata City, Toki Messe 2F A24 Keywords: oxynitride, semiconductor, photocatalyst We proposed a new titanium nitride with an optimal band structure for visible light-responsive photocatalysts for water splitting. To screen stable structures from a large number of candidate structures, we proposed a method to calculate the local formal charge of Ti atoms from local structures, which was used to narrow down the subjects for first-principles calculations. The resulting structure was found to have its valence band edge raised by over 1 eV compared to TiO2, indicating a band structure suitable for visible light water splitting. 【Booth】K-13

Date and time Monday, Sep 16, 2024 ～ Friday, Sep 20, 2024
Capital Toki Messe Niigata Convention Center 6-1 Bandai Island, Chuo Ward, Niigata City, 950-0078 https://meeting.jsap.or.jp/venue_access
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