DataVXAdvanced Materials InterfacesPaper
journal article·2025-06Open access

Molecular Hydrogen Chemisorbed on Unsaturated Coordinate Ti: A New Designed Materials for Hydrogen Storage

Chengguang Lang, Lei Zhang, Cheng‐Jie Yang, Hanwu Dong, Hao Zhong, Chung‐Li Dong, Jun Chen, Aijun Du, Yi Jia, Liuzhang Ouyang, Xiangdong Yao

Advanced Materials Interfaces· Volume 12· Issue 12
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Source abstract

Abstract

Abstract Solid‐state hydrogen storage materials with optimal binding energy are essential for hydrogen storage and transportation applications and pose long‐standing challenges. Current technologies, including molecular physisorption materials (e.g., metal–organic frameworks (MOFs), carbon nanotubes (CNTs), activated carbons (ACs)) and atomic chemisorption materials (e.g., MgH2, LiBH4, NH4BH4), fall short of meeting practical application requirements. Therefore, designing and constructing new solid‐state hydrogen storage materials at the atomic level is critically important. In this study, the use of defect engineering is explored to modulate hydrogen adsorption sites on TiO2 surfaces. The results demonstrate that low‐coordinated titanium (Ti) atoms on TiO2 can serve as effective hydrogen adsorption sites, storing hydrogen through molecular chemisorption with significantly enhanced adsorption energy compared to Ti atoms in high coordination states. Moreover, the adsorbed hydrogen remains in molecular form, facilitating easy desorption at room temperature, unlike titanium hydride, which requires high temperatures for desorption. This approach provides a promising pathway for developing efficient hydrogen storage materials by leveraging the unique properties of low‐coordinated Ti atoms on TiO2 surfaces.
Source: crossref · Quality: baseline

Research context

Nanomaterials

OpenAlex topics: Hydrogen Storage and Materials · Fuel Cells and Related Materials · Ammonia Synthesis and Nitrogen Reduction

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

Affiliations

School of Advanced Energy and IGCME Sun Yat‐sen University (Shenzhen) Shenzhen 518107 P. R. China

School of Environment and Science Queensland Micro‐ and Nanotechnology Centre Griffith University Nathan Campus Brisbane QLD 4111 Australia

School of Chemistry Physics and Mechanical Engineering Queensland University of Technology Gardens Point Campus Brisbane QLD 4001 Australia

Department of Physics Tamkang University Tamsui Taiwan 25137 P. R. China

Guangdong Provincial Engineering Technology Research Center for Optical Agriculture College of Materials and Energy South China Agricultural University Guangzhou 510642 P. R. China

School of Materials Science and Engineering Guangdong Provincial Key Laboratory of Advanced Energy Storage Materials South China University of Technology Guangzhou 510641 P. R. China

Intelligent Polymer Research Institute ARC Centre of Excellence for Electromaterials Science AIIM Facility University of Wollongong Wollongong NSW 2500 Australia

Department of Applied Chemistry and Zhejiang Moganshan Carbon Neutral Innovation Institute Zhejiang University of Technology Hangzhou 310032 P. R. China

Funding

Ministry of Science and Technology of the People's Republic of China

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