2‐Electron Reduction of CO2 by Graphene Supported Ru Complexes – on the Role of Electron Donation. Issue 15 (17th May 2018)

• Record Type: Journal Article
• Authors: Szyja, Bartłomiej M.
• Is Part Of: ChemElectroChem. Volume 5:Issue 15(2018)
• Page Start: 2105
• Page End: 2112
• Publication Date: 2018-05-17
• Subjects: charge transfer -- CO2 hydrogenation -- electrochemistry -- graphene -- pincer complexes; Electrochemistry -- Periodicals; 541.37
• DOI: 10.1002/celc.201800407
• Languages: English
• ISSNs: 2196-0216

Abstract

Abstract: This work presents the theoretical activity of the graphene supported Ru‐CNC pincer complexes, Ru‐porphyrin in the electrocatalytic CO2 hydrogenation to FA, reduction to CO. The pathways with the formate, carboxyl intermediates are investigated to estimate the preferred pathway, the overpotential needed to overcome the thermodynamic limitations of the process. The effect of the electron donation from the supporting graphene sheet is discussed, based on the observed charge density difference. The results indicate the carboxyl intermediate as the more stable one„ the electron donation causes the additional stability of this intermediate, which in turn is likely to lead to the strongly bound carbonyl species. Abstract : Graphene matters : the selective hydrogenation of CO2 to formic acid by graphene embedded homogeneous electrocatalysts is investigated. The reaction pathway varies depending on the stability of different intermediates. The interaction with the graphene electrode facilitates electron transfer, stabilizes the carboxyl intermediate.