Utilization of a smart TiCo alloy for pressure-induced hydrogen storage
Year: 2024
Type: article
Abstract: One of the most important challenges facing countries is providing cheap energy and renewable sources. Therefore, a smart alloy will be proposed for hydrogen storage due to its ability to expand and contract without breaking and being little affected by heat. In this investigation, the first performance principle is applied to examine the effect and utility of hydrogen absorption in smart TiCo alloy. The hydrogen atoms absorbed at the bridge (TiCoH3-B), face-centered cubic (TiCoH3) and tetrahedral interstitial (TiCoH8) sites in TiCo alloy were studied. The elastic constants, enthalpy of formation energy, and tolerance factors show that TiCoH3 and TiCoH8 are stable alloys and can be formed, while TiCoH3-B is not elastically stable. Cohesive energy shows that increasing induced pressure and hydrogen absorption reduces the stiffness of TiCoH3 and TiCoH8, without alloy collapse. The gravimetric storage capacity of CoTiH3 and TiCoH8 is found to be large enough to be suitable as alloys for hydrogen storage. Pugh’s B/G ratio, and anisotropy factor assume that TiCo with or without hydrogen atoms is classified as a ductile and anisotropic alloy, with except for TiCoH8 has brittle behavior up to 40 GPa. The bonding nature of TiCoH3 alloy has a mixture of covalent (Co–H) and ionic bond (CoH6–Ti). In contrast, TiCoH8 exhibits a covalent bond in the form of Ti–H–Co. Hydrogen absorption and induced pressure encourage electrons to rearrange into the spin up and down channels resulting in a decrease in the overall magnetic moment of the alloy. The mechanical, electronic, and magnetic properties show promise for industrial applications of these alloys, such as piezoelectric and hydrogen storage, and spin and magnetoelectronic manufacturing.
Source: Physica Scripta
Authors: A A Mubarak, Saad Tariq
Institutions: King Abdulaziz University, University of Central Punjab
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: hybrid
Estimated APC paid: $2,285
OpenAlex ID: W4405269879