Single-atom solutions promote carbon dioxide capture

• Published in: Applied energy 2023-02, Vol.332, p.120570, Article 120570
• Main Authors: Zhou, Chenyang, Zhang, Chen, Zhang, Teng, Zhang, Jingfeng, Ma, Pengfei, Yu, Yunsong, Zhang, Zaoxiao, Wang, Geoff G.X.
• Format: Article
• Language: English
• Subjects: Boron single atom; Carbon dioxide capture; Copper single atom; DFT; Single-atom solutions
• ISSN: 0306-2619; 1872-9118
• DOI: 10.1016/j.apenergy.2022.120570

•Metal and nonmetal single-atom solutions developed for CO2 capture.•Desorption energy barrier greatly reduced to control the energy consumption.•CO2 desorption energy consumptions determined as 1.65 GJ/t and 0.97 GJ/t. Single-atom solutions are proposed to promote CO2 capture for carbon neutralization. Copper, iron, manganese and boron based single-atom DMF solution along with iron and manganese based single-atom ethanol solution are developed scientifically. The DFT simulation and experiment are performed to analyze the system of single-atom solution and CO2. It is shown that copper, iron and boron single atoms promote the solution to absorb carbon dioxide. Manganese single atom shows little intensification effect for carbon dioxide absorption. More importantly, copper single atom also promotes CO2 desorption at low temperatures. Based on the interaction energy and desorption energy barrier, it is concluded that copper and boron based single-atom solutions show outstanding CO2 capture performance. Their CO2 desorption energy were assessed as 1.65 GJ/t CO2 and 0.97 GJ/t CO2, which are 56.58% and 74.47% lower than the conventional amine system.