A First-Principles Study on Titanium-Decorated Adsorbent for Hydrogen Storage

Based on density functional theory calculation, we screened suitable Ti-decorated carbon-based hydrogen adsorbent structures. The adsorption characteristics and adsorption mechanism of hydrogen molecules on the adsorbent were also discussed. The results indicated that Ti-decorated double vacancy (2 × 2) graphene cells seem to be an efficient material for hydrogen storage. Ti atoms are stably embedded on the double vacancy sites above and below the graphene plane, with binding energy higher than the cohesive energy of Ti. For both sides of Ti-decorated double vacancy graphene, up to six H2 molecules can be adsorbed around each Ti atom when the adsorption energy per molecule is −0.25 eV/H2, and the gravimetric hydrogen storage capacity is 6.67 wt.%. Partial density of states (PDOS) analysis showed that orbital hybridization occurs between the d orbital of the adsorbed Ti atom and p orbital of C atom in the graphene layer, while the bonding process is not obvious during hydrogen adsorption. We expect that Ti-decorated double vacancy graphene can be considered as a potential hydrogen storage medium under ambient conditions.

Immobilization of Iron Minerals on a Layered Silicate for Enhancing its Solar Photocatalytic Activity toward H2 Production

The development of efficient and cost-effective solar photocatalysts capable of producing hydrogen from formic acid as a hydrogen storage medium is still a challenging issue. Herein, we report that iron minerals, ferric iron hydroxy sulfates (FHS), immobilized on a natural layered silicate, magadiite, can be used as a photocatalyst to produce hydrogen from formic acid under irradiation with solar simulator. The material exhibits the hydrogen production rate of 470 μmol g−1 h−1, which is considerably higher than that obtained on other iron minerals and comparable to that obtained on precious metal-based photocatalyst ever reported. The present result may open a way to design efficient photocatalyst for hydrogen production from formic acid in an economically and environmentally friendly way.

Research Progress of Rare Earth-Based Hydrogen Storage Alloys

As a clean and efficient renewable energy, hydrogen energy will play an important role in the future energy system. The utilization of hydrogen energy involves various fields including production, application, storage and transportation, and the storage of hydrogen has become the main technical bottleneck restricting the wide application of hydrogen energy. Rare earth-based hydrogen storage alloys are promising hydrogen storage medium and have been widely used as anode materials for commercial Ni/MH batteries because of the excellent hydrogen storage and electrochemical properties. In this paper, the research progress of AB5 and R-Mg-Ni-based rare earth-based hydrogen storage alloys is described in detail. The alloy composition, preparation process, heat treatment and surface treatment process have significant influence on the comprehensive properties of rare earth-based hydrogen storage alloys. The effects of element substitution on the hydrogen storage capacity, corrosion resistance, oxidation resistance and electrochemical properties of the alloys are emphasized. This paper provides a guidance and a theoretical basis for the development and application of rare earth-based hydrogen storage materials.