DataVXAdvanced Functional MaterialsPaper
journal article·2022-03Open access

Enhanced Hydrogen Storage Properties of LiAlH4 by Excellent Catalytic Activity of XTiO3@h‐BN (X = Co, Ni)

Sheng Wei, Jiaxi Liu, Yongpeng Xia, Huanzhi Zhang, Riguang Cheng, Lixian Sun, Fen Xu, Yiting Bu, Zhaoyu Liu, Pengru Huang, Kexiang Zhang, Federico Rosei, Aleskey A. Pimerzin, Hans Jürgen Seifert

Advanced Functional Materials· Volume 32· Issue 13
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Source abstract

Abstract

Abstract The high desorption temperature and slow kinetics still restrict the applications of LiAlH4 in hydrogen storage. To solve the above problems, NiTiO3@h‐BN and CoTiO3@h‐BN prepared for the first time are introduced into LiAlH4 by ball milling. LiAlH4 doped with 7 wt% NiTiO3@h‐BN, selected as an optimal doping sample, starts to release hydrogen at 68.1 °C, and the total amount of hydrogen released is 7.11 wt% below 300 °C. The activation energies (Ea) of the two‐step hydrogen release reactions are 55.93 and 59.25 kJ∙mol−1, which are 45.8% and 69.0% lower than those of as‐received LiAlH4, respectively. Under 30 bar hydrogen pressure and 300 °C constant temperature, LiAlH4 doped with 7 wt% NiTiO3@h‐BN after dehydrogenation can absorb ≈1.05 wt% hydrogen. Based on density functional theory calculations, AlNi3 and NiTi, in situ formed nanoparticles during ball milling, can decrease the desorption energy barrier of AlH bonding in LiAlH4 and accelerate the breakdown of AlH bonding due to the interfacial charge transfer and the dehybridization. Furthermore, NiTi can enhance the adsorption and splitting of H2, promoting the activation of H2 molecules during the rehydrogenation process.
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Research context

NanomaterialsCatalysis & surfaces

OpenAlex topics: Hydrogen Storage and Materials · Ammonia Synthesis and Nitrogen Reduction · Hybrid Renewable Energy Systems

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

School of Material Science & Engineering Guangxi Key Laboratory of Information Materials and Guangxi Collaborative Innovation Center of Structure and Property for New Energy and Materials Guilin University of Electronic Technology Guilin 541004 P. R. China

School of Mechanical & Electrical Engineering Guilin University of Electronic Technology Guilin 541004 P. R. China

Centre Énergie Matériaux et Télécommunications Institut National de la Recherche Scientifique 1650 Boul. Lionel Boulet Varennes Québec J3X1S2 Canada

Chemical Department Samara State Technical University Samara 443100 Russia

Institute for Applied Materials Karlsruhe Institute of Technology Hermann von Helmholtz Platz 1 76344 Eggenstein Leopoldshafen Germany

Funding

National Key Research and Development Program of China · National Natural Science Foundation of China · Scientific Research and Technology Development Program of Guangxi · Natural Science Foundation of Guangxi Province · Guilin University of Electronic Technology

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