東北大学 · 材料科学高等研究所

研究キーワードトポロジカル電極触媒・AI触媒材料探索・過酸化水素電解合成・CO酸化ナノクラスター・硝酸還元電極触媒・全固体電池電解質データベース・グラフ機械学習材料探索・CO電解合成・スーパーキャパシタ電極・酸素発生反応

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• Picturing the Gap Between the Performance and US‐DOE’s Hydrogen Storage Target: A Data‐Driven Model for MgH2 DehydrogenationChaoqun Li, Weijie Yang, Hao Liu, Xinyuan Liu, Xiujing Xing, Zhenyang Gao, Shuai Dong, Hao Li
• Pair-distribution-function guided optimization of fingerprints for atom-centered neural network potentialsLei Li, Hao Li, Ieuan D. Seymour, Lucas Koziol, Graeme Henkelman
• Closed-Loop Framework for Discovering Stable and Low-Cost Bifunctional Metal Oxide Catalysts for Efficient Electrocatalytic Water Splitting in AcidXue Jia, Zihan Zhou, Fangzhou Liu, Tianyi Wang, Yuhang WANG, Di Zhang, Heng Liu, Yong Wang, Songbo Ye, Koji Amezawa, Li Wei, Hao Li
• Stability and Activity of Cobalt Antimonate for Oxygen Reduction in Strong AcidLan Zhou, Hao Li, Yungchieh Lai, Matthias Richter, Kevin Kan, Joel A. Haber, Sara Kelly, Zhenbin Wang, Yubing Lu, R. Soyoung Kim, Xiang Li, Junko Yano, Jens K. N{\o}rskov, John, M. Gregoire

• 革新水素貯蔵 －水素 反応の精密解析とデ ジタル技術の援用－2023 · 2023年10月 ～
• Explore High-Performance Hydrogen Evolution Electrocatalysts Initialized by Data MiningHao Li
• Search for Stable, Active, and Cost- effective TMXA/TMXB Heterostructure Materials for ElectrocatalysisHao Li, Xintong Zhao, Li Wei
• Enable Sustainable Chemical Production by Multi-scale Electrode EngineeringLi Wei, Hao Li

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