Catalysts found to convert carbon dioxide into fuel

The goal of tackling global warming by turning carbon dioxide into fuel could be a step further with researchers using a supercomputer to identify a group of “single atom” catalysts that could play a key role.

Researchers from QUT’s Materials Science Center, led by Associate Professor Liangzhi Kou, participated in an international study that used theoretical modeling to identify six metals (nickel, niobium, palladium, rhenium, rhodium, zirconium) that are proven to be effective in a reaction that can convert carbon dioxide into sustainable, clean energy sources.

The study published in Nature Communication the QUT researchers involved, Professor Aijun Du, Professor Yuantong Gu and Dr Lin Ju.

Professor Kou said the research was conducted by modeling the experiments using the Australian National University’s National Computational Infrastructure, examining how individual atoms of metals would react with two-dimensional pieces of “ferroelectric” material.

Ferroelectric materials have a positive charge on one side and a negative charge on another, and this polarization can be reversed when a voltage is applied.

In theoretical modeling, the researchers found that adding the catalyst metal atom to the ferroelectric material results in the greenhouse gas being converted into a desired chemical fuel.

Once the polarity is reversed, the state will be preserved to act as a catalyst in the conversion of carbon dioxide.

Prof Kou said that although single-atom catalysts for use in reducing carbon dioxide were proposed a decade ago, this research is advancing the field considerably.

“We have designed a special chemical catalyst, it can convert greenhouse gas CO₂ in the desired chemical fuels. The efficiency of the conversion can be monitored using a feasible approach, ”said Prof Kou.

“This means that we have for the first time developed the ability to speed up or slow down or even deactivate the chemical reaction.

“Carbon dioxide is the main reason for global warming due to the greenhouse effect, converting it into chemical fuels is not only important for our environments, but also useful in solving the energy crisis.”

Dr Ju, the study’s first author, said the research has provided direction for the design of new catalysts that could produce significant impacts for the chemical industry.

Prof Kou said the long-term goal in this area of ​​research is to find ways to turn carbon dioxide into clean energy sources.

Professor Kou said the results of this study could eventually lead to a way to add a coating to engines or industrial systems that would convert carbon dioxide instead of releasing more gas into the atmosphere.

QUT researchers come from the School of Mechanical, Medical and Process Engineering and the School of Chemistry and Physics.