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Porous Metal-Organic Frameworks Revolutionize Hydrogen Isotope Purification

As part of the Hydrogen Isotopes 1,2,3H Research Training Group, a team from Leipzig University and TU Dresden has made a significant advancement in the effective and economical provision of isotopes, according to a study published in Chemical Science. In nature, hydrogen can be found in three different forms: protium, deuterium, or tritium.

Illustration of the preferential binding of heavy hydrogen (blue) to light hydrogen (white) at the metal center, activated by the binding of a water molecule (oxygen red, hydrogen white).Illustration of the preferential binding of heavy hydrogen (blue) to light hydrogen (white) at the metal center, activated by the binding of a water molecule (oxygen red, hydrogen white). Image Credit: Leipzig University

Hydrogen, the lightest element, is highly sought after because of its potential as a sustainable resource in the energy transition.

The international team of researchers has taken a significant step toward realizing its goal of separating hydrogen isotopes at room temperature for a low cost.

Protium, or hydrogen-1, is the most common type of hydrogen. Deuterium, also known as heavy hydrogen, is becoming increasingly important, particularly in the development of more stable and effective pharmaceuticals. Nuclear fusion, a sustainable energy source of the future, is powered by a mixture of deuterium and tritium, known as "super-heavy" hydrogen.

Since these isotopes have very similar physical properties, one of the open challenges in hydrogen research is how to efficiently and economically produce these isotopes in a highly pure form. The isotope separation methods used today are extremely energy-intensive and inefficient.

It has been known for almost 15 years that porous metal-organic frameworks can, in principle, be used to purify and separate hydrogen isotopes. However, this has only been possible at very low temperatures, around minus 200 ℃ conditions that are very costly to implement on an industrial scale.

Knut Asmis, Professor, Wilhelm Ostwald Institute for Physical and Theoretical Chemistry, Leipzig University

Knut Asmis is also a spokesperson for the Research Training Group.

He went on to say that one of the isotopes present on one of the porous solid's free metal centers strongly favors its adsorption, which forms the basis of the separation mechanism. Adsorption is the process of atoms, ions, or molecules from a gas or liquid adhering to a solid surface—which is frequently porous.

Now, with a greater understanding of the impact of the framework environment on binding selectivity, the doctoral researchers of the 1,2,3H Research Training Group, Elvira Dongmo, Shabnam Haque, and Florian Kreuter—all affiliated with one of the research groups headed by Professor Thomas Heine (TU Dresden), Professor Knut Asmis, and Professor Ralf Tonner-Zech (both Leipzig University)—have gained.

This raises the question of why one isotope is more likely to stick than the other. This was deciphered in detail in the current study using a synergistic combination of cutting-edge spectroscopy, quantum chemical calculations, and chemical binding analysis on a model system.

For the first time, we have been able to show the influence of the individual atoms of the framework compounds on adsorption. We can now optimize them in a targeted manner to obtain materials with high selectivity at room temperature.

Thomas Heine, Professor, Technische Universität Dresden

Since October 2021, the 1,2,3H Research Training Group, which is funded by the German Research Foundation (DFG) with 5.4 million euros over 4.5 years, has trained over 20 doctoral researchers.

By combining funding for fundamental research and training in the field of hydrogen isotopes, it brings together the knowledge of Leipzig University, TU Dresden, the Helmholtz-Zentrum Dresden-Rossendorf, and the Leibniz Institute of Surface Engineering to develop new materials, more potent medications, and more sensitive detection techniques.

The second batch of 15–20 doctorate researchers will start their three-year structured doctoral program on October 1, 2024.

It brings together the expertise of Leipzig University, TU Dresden, the Helmholtz-Zentrum Dresden-Rossendorf, and the Leibniz Institute of Surface Engineering to develop novel materials, more effective drugs, and more sensitive detection methods by pooling funding for basic research and training in the field of hydrogen isotopes.

The second cohort of approximately 15 to 20 doctoral researchers will begin their three-year structured doctoral program on October 1st, 2024.

Journal Reference:

Dongmo, E. G., et al. (2024) Direct evidence for ligand-enhanced activity of Cu(I) sites. Chemical Science. doi.org/10.1039/d4sc04582c.

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