Dimethyl carbonate synthesis from CO<sub>2</sub> and methanol over CeO<sub>2</sub>: elucidating the surface intermediates and oxygen vacancy-assisted reaction mechanism

Dragos Stoian; Toshiyuki Sugiyama; Atul Bansode; F. Medina; Wouter van Beek; Jun‐ya Hasegawa; Akira Nakayama; Atsushi Urakawa

doi:10.1039/d3sc04466a

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Dimethyl carbonate synthesis from CO₂ and methanol over CeO₂: elucidating the surface intermediates and oxygen vacancy-assisted reaction mechanism

Dragos Stoian Toshiyuki Sugiyama Atul Bansode F. Medina Wouter van Beek Jun‐ya Hasegawa Akira Nakayama Atsushi Urakawa

Year: 2023 Journal: Chemical Science Vol: 14 (47)Pages: 13908-13914 Publisher: Royal Society of Chemistry

DOI: 10.1039/d3sc04466a

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Abstract

Oxygen vacancy-assisted reaction mechanisms and key surface intermediates were uncovered by operando spectroscopic and DFT-based molecular dynamics simulations in direct dimethyl carbonate (DMC) synthesis from CO 2 and methanol over CeO 2 catalyst.

Keywords:

Methanol Carbonate Vacancy defect Oxygen Chemistry Dimethyl carbonate Reaction mechanism Mechanism (biology) Inorganic chemistry Photochemistry Catalysis Crystallography Organic chemistry

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Carbon dioxide utilization in catalysis

Physical Sciences → Chemical Engineering → Process Chemistry and Technology

Catalysts for Methane Reforming

Physical Sciences → Chemical Engineering → Catalysis

CO2 Reduction Techniques and Catalysts

Physical Sciences → Energy → Renewable Energy, Sustainability and the Environment

Dimethyl carbonate synthesis from CO₂ and methanol over CeO₂: elucidating the surface intermediates and oxygen vacancy-assisted reaction mechanism

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