Insight into the effects of electronegativity on the H2 catalytic activation for CO2 hydrogenation: four transition metal cases from a DFT study

Haipeng Chen, Minjian Yang, Jinqiang Liu, Guojian Lu, Xun Feng

2020Catalysis Science & Technology28 citationsDOI

Abstract

Electronegativity of transition metal dominates the type of H species, which has an important effect on the path choice of CO2 hydrogenation.

Topics & Concepts

ElectronegativityCatalysisTransition metalChemistryMetalPath (computing)Computational chemistryOrganic chemistryComputer scienceProgramming languageCarbon dioxide utilization in catalysisCO2 Reduction Techniques and CatalystsAmmonia Synthesis and Nitrogen Reduction

Insight into the effects of electronegativity on the H<sub>2</sub> catalytic activation for CO<sub>2</sub> hydrogenation: four transition metal cases from a DFT study

Abstract

Topics & Concepts