Quantum chemists believe that gold, silver and copper can help the world move towards green energy after discovering that compounds of metal elements and hydrogen are very promising candidates for hydrogen storage.

These "metal hydride" complexes can be used to store hydrogen for onboard use, for example, they must be stored at low temperatures and/or very high pressures. Hydrogen is volatile at ambient temperature, which is why scientists pay special attention to the design of low-cost materials that can be reversibly quickly stored for daily use.

For some time, metal hydride research has focused on improving the storage capacity of such materials, which makes the latest findings that have just been published in the leading journal Chemistry Open even more exciting.

Dr. Cristina Trujillo is a researcher in the School of Chemistry at Trinity College Dublin, working at the Trinity Institute of Biomedical Sciences, and is the senior author of the journal article. She said: One of the biggest challenges facing mankind is the increasing need to stop global warming and find more efficient and cleaner energy production methods. As we all know, the current production system and excessive use of fossil fuels are releasing more CO 2 into the atmosphere for natural absorption, which makes the creation of greener and more environmentally friendly alternatives a global priority.

For decades, many research groups around the world have been trying to solve this problem. One of the most studied alternatives is hydrogen as a clean and CO2-free energy source, but due to its reactivity and low density and stability. Our contribution here through quantum chemistry techniques shows that the hydride complex of gold, silver, and copper is likely to effectively retain hydrogen in a stable manner. We hope that this work can have multiple applications in the future.

Dr. Trujillo and Dr. Inigo Iribarren’s Trinity Team Candidate have been working with Prof. Ibon Alkorta and Prof. Jose Elguero (IQM-CSIC, Spain) and Dr. Sánchez-Sanz (Irish High-end Computing Center, Dublin) for many years on various compound-bonding interactions. Role to cooperate.

Recently, the team has been investigating "regional bonds" in great detail. Regiobond showed great promise in understanding how metals interact with other chemicals, and eventually led the team to see gold and silver complexes as potential ingredients in formulations that could have a global impact in a more sustainable future.

Link to this article： Gold, silver and copper turned out to be "seed players" as future hydrogen storage candidates

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