Examples of SQS (special quasirandom structure) models for arbitrary binary bcc (body centered cubic) and hcp (hexagonal close packed) structures
- データセット
- 著者
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SAHARA, Ryoji (author) (この著者で検索)
- キーワード
- Sommerfeld model, quasi-harmonic vibrational contribution, First-principles calculation, Debye model, titanium alloys
- 刊行年月日
- 2020-10-15
- 更新時刻
- 2024-01-05 22:12:16 +0900
A data-driven elucidation of the challenges in designing stable quinone derivatives for aqueous organic redox flow batteries: correlations between thermodynamics of chemical degradation and energy capacity metrics
- ジャーナル論文
- 著者
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;Ning Lu (author) (この著者で検索)RWTH Aachen University a MODES, the Integrated Fuel & Chemical Science Centre;Shiyao Ju (author) (この著者で検索);Daniel Willimetz (author) (この著者で検索);Shengming Tang (author) (この著者で検索)Abhishek Khetan (author) (この著者で検索)
- キーワード
- Aqueous organic redox flow batteries, quinone stability, degradation, molecular design, high-throughput screening, durability, grid-scale energy storage
- 刊行年月日
- 2026-07-16
- 更新時刻
- 2026-07-17 13:28:23 +0900