Hydrogen storage technologies are improving over time, such as in the case of hydrogen adsorption in systems, which has been investigated in various experimental ways, as well as with theoretical methods. The design of systems that meet the needs of their experimental application is one of the challenges of these days. There are different strategies to generate adsorption of more hydrogen molecules, and several research groups have chosen to use alkali metal atoms to cause better interactions between surfaces and hydrogen molecules. Carbon, silicon, boron, phosphorus, and other systems have been reported, with carbon nanostructures being the most widely used. This review describes theoretical studies based on the addition of lithium atoms to various materials to increase the adsorption properties of hydrogen molecules.
Ibarra-Rodríguez et al. (2026) studied this question.