Charge–orbital synergistic engineering of TM@Ti<sub>3</sub>C<sub>2</sub>O<sub>1−<i>x</i></sub>B<sub><i>x</i></sub> for highly selective CO<sub>2</sub> electrochemical reduction
Jiahe Peng, Zuhao Shi, Jizhou Jiang, Peng Zhang, Jyh‐Ping Hsu, Neng Li
Abstract
Charge–orbital synergism is achieved by doping boron atoms into Ti 3 C 2 O 2 . The TM-to-C and B-to-C π-back bonding contribute to the activation of CO 2 molecules and CO intermediates in the CO 2 RR process.
Topics & Concepts
CatalysisMoleculeAtom (system on chip)RedoxChemistryOxidation stateMolecular orbitalCrystallographySelectivityMaterials sciencePhysical chemistryInorganic chemistryOrganic chemistryEmbedded systemComputer scienceCO2 Reduction Techniques and CatalystsElectrocatalysts for Energy ConversionMXene and MAX Phase Materials