Enhancing hydrogen uptake in TiFe at moderate pressures via rationally designed biomass-derived carbon additives

Madina Kalibek, Nurbolat Issatayev, Aigerim Ospanova, Talgat Orazbek, Ayaulym Amankeldiyeva, Mirat Karibayev, V. S. Kudryashov, Aitkazy Kaisha, Dhawal Shah, Nurxat Nuraje

2026

Full text Open access: Gold Metadata (CSL-JSON)
DOI 10.1039/d5ra07863f
Data confidence 70 medium
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Abstract

at 298 K and 100 bar). Incorporation of only 1 wt% of this material into TiFe suppresses oxide formation and increases hydrogen uptake from ∼1.4 to 1.5 wt% under identical conditions. Additionally, molecular dynamics simulations reveal that incorporating a porous activated carbon layer (0.65 nm pores) onto TiFe alloys significantly alters hydrogen distribution by introducing additional sorption sites. This approach improves hydrogen storage and promotes sustainability by converting agricultural waste into a valuable material.