Hydrogen Storage for Energy Applications using Molecular Simulations

The pollution generated by the use and storage of fossil fuels has created a clear demand for alternative sources of clean and renewable energy. The main disadvantage of some renewable sources is the intermittency in energy generation, i.e., solar, wind power. To help balance the energy supply and demand, the generation must be accompanied by energy storage systems.
A promising solution is the use of hydrogen as an energy carrier for clean energy because of its non-toxicity, high specific energy, and non-CO2 emission after combustion. The challenge is to find hydrogen storage materials with high capacity.

The main research objective focuses on the computational post-synthetic modification of materials to enhance hydrogen capacity, increasing sensibility to molecular hydrogen to modulate operational conditions for reversible storage.