DGIST identifies “magic blueprint” for converting carbon dioxide into resources through atom-level catalyst design

(Press-News.org) □ A research team led by Professor Su-Il In of the Department of Energy Science and Engineering at DGIST (President Kunwoo Lee) has uncovered the principle that the products and reaction pathways of carbon dioxide (CO₂) conversion to fuel via solar energy depend on the design of atomic-level interactions in the catalyst.

 

□ The technology of converting CO₂, a major greenhouse gas, into useful fuels or chemical feedstocks is a key challenge for achieving a carbon-neutral society. In particular, “artificial photosynthesis” technology, which utilizes solar energy to turn greenhouse gases into resources, is attracting attention. However, there have been difficulties in enhancing reaction efficiency and securing selectivity toward desired products.

 

□ To address this challenge, the research team designed a “single-atom catalyst” system in which individual iron (Fe) and copper (Cu) atoms were separately dispersed on the surface of titanium dioxide (TiO₂). Single-atom catalysts feature isolated metal atoms distributed individually, enabling precise control over electron dynamics at the atomic scale.

 

□ The results revealed that reaction products varied dramatically depending on the choice of metal atom. When iron (Fe) atoms were used, the production of carbon monoxide (CO) increased by 55.7 times compared to conventional systems. In contrast, when copper (Cu) atoms were used, light irradiation facilitated the formation of sites where oxygen atoms were removed (oxygen vacancies) on the catalyst surface, and the production of hydrocarbon fuels such as methane (CH4) and ethane (C2H6) increased by up to 44.5 times.

 

□ The research team scientifically demonstrated how metal atoms modify the electronic structure within the catalyst and how these changes generate distinct reaction pathways using advanced characterization techniques (XAFS and DRIFTS) and theoretical calculations (DFT). In particular, they revealed that copper atoms are advantageous for involving multiple electrons in the reaction and facilitating carbon–carbon bond formation.

 

□ This study has significance in that it has provided new design guidelines for selectively obtaining desired products by tuning the electronic structure at the atomic level, going beyond conventional approaches that simply employ catalyst defects.

 

□ “This study demonstrates that carbon dioxide reduction pathways can be directly designed by precisely controlling the interactions between metal atoms and the support,” stated Professor Su-Il In of the Department of Energy Science and Engineering at DGIST. “Going forward, this approach is expected to be applied as a key strategy for addressing the climate crisis by enhancing the efficiency of solar-driven carbon utilization technologies.”

 

□ Meanwhile, this study was conducted in collaboration with research teams led by Professor Taeghwan Hyeon of Seoul National University, Professor Byung-Hoon Lee of Korea University, and Professor Minho Kim of Kyung Hee University. The research was supported by the Mid-Career Researcher Support Program of the Ministry of Science and ICT and the National Research Foundation of Korea, the InnoCORE Program, and research operating funds from the Institute for Basic Science. The findings were published in Advanced Science, a leading international journal in natural sciences and engineering.

END