Immobilization of CO2 at Room Temperature Using the Specific Sub‐NM Space of 1D Uneven‐Structured C60 Polymer Film. (7th October 2020)

• Record Type: Journal Article
• Authors: Nakaya, Masato; Kitagawa, Yasutaka; Watanabe, Shinta; Teramoto, Rena; Era, Iori; Nakano, Masayoshi; Onoe, Jun
• Is Part Of: Advanced sustainable systems. Volume 5:Number 1(2021)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2020-10-07
• Subjects: C 60 polymers -- CO 2 immobilization -- specific sub‐nm space -- transition states; Sustainable living -- Periodicals; Sustainability -- Periodicals; Green technology -- Periodicals; Periodicals; 628
• DOI: 10.1002/adsu.202000156
• Languages: English
• ISSNs: 2366-7486

Abstract

Abstract: Immobilization and reuse of CO2 are urgent tasks for sustaining the global environment. Here it is demonstrated that CO2 can be immobilized by reaction with H2 O at room temperature (RT) in the specific sub‐nm space of 1D uneven‐structured C60 polymer (1D polymer) film, even though the reaction does not occur at RT in the gas phase (activation energy: 2 eV). First‐principles calculations reveal that the CO2 molecule is stacked as a bridge between the concave portions of adjacent 1D polymer frameworks via locally induced Coulomb interactions. Such induced charge polarization activates CO2 both by weakening its double‐bonds and by lowering its lowest unoccupied molecular orbital energy due to the bending motion. In addition, the flexible π orbitals of the 1D polymer provide the optimal Coulomb field to stabilize the transition state of the CO2 + H2 O reaction remarkably. These factors work together to make the reaction possible at RT. Abstract : Immobilization and reuse of CO2 are urgent tasks for sustaining the global environment. This article demonstrates that the sub‐nm space of 1D uneven‐structured C60 polymer film acts as a specific reaction field where CO2 can be reacted with H2 O at room temperature by activating CO2 and by stabilizing the transition state of the CO2 + H2 O reaction.