Modulating the Catalytic Properties of Bimetallic Atomic Catalysts: Role of Dangling Bonds and Charging
Xin Guan1, Erhong Song2, Wang Gao1
1Key Laboratory of Automobile Materials, Ministry of Education Department of Materials Science and Engineering, Jilin University, 130022, Changchun, P. R. China.
Abstract:
Bimetallic atomic catalysts (BACs) exhibit great potential in CO2 electroreduction. However, modulation and improvement of their catalytic performance are still challenging. To address these issues, an intrinsic descriptor ψ based on the valence properties of active centers was used. The role of the dangling bonds and charging in modulating the catalytic properties of BACs called M1 M2 -N6 -G (M1 =Ru and Fe) was studied. It was shown that linear relationships between the adsorption energy of the C-species are broken under the effect of the dangling bonds and that they are restored with charging. However, charging has minor effects on the adsorption of the O-species. These findings enable screening promising BACs for CH3 OH production. This research provides effective schemes for modulating the properties of catalysts, which is beneficial to enriching high-performance catalysts for various reactions.
Related Concept Videos
Metal-Ligand Bonds
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
Valence Bond Theory
Introduction to Mechanisms of Enzyme Catalysis
Bonding in Metals
Reduction of Alkenes: Asymmetric Catalytic Hydrogenation
The metal catalyst used can be either heterogeneous or homogeneous. When hydrogenation of an alkene generates a chiral center, a pair of enantiomeric products is expected to form. However, an enantiomeric excess of one of the products can be facilitated using an enantioselective reaction or an...
Properties of Organometallic Compounds


