Author

Wei-Zhi Tian

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Conference Open access 2026

Data-Driven Design of MX/ O enes@TiFeH 2 Heterostructures for Regulating Hydrogen Release Performance

To address the issues of high activation energy barrier and sluggish hydrogen release kinetics in the hydrogen storage process of TiFe alloys, this study proposes an ML-DFT screening strategy combining machine learning with first-principles calculations to explore the regulatory mechanism of MX/Oenes two-dimensional ma...

Wei-Zhi Tian, Hong Cui · E3S Web of Conferences · 0 citations

Conference Open access 2026

Small-sample ensemble learning-driven prediction and mechanistic analysis of hydrogen release performance in modified LiBH 4

To address the complexity and high cost of traditional approaches for metal-modified LiBH4 systems, this study proposes a small-sample ensemble learning-density functional theory (EL-DFT) framework for the efficient prediction and mechanistic analysis of hydrogen dissociation energies ( E d ) in bimetal-doped stru...

Zi-Shan Luo, Jia-Wei Li, Wen-Hao Yan et al. · E3S Web of Conferences · 0 citations