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In situ DRIFTS and DFT study of CO 2 hydrogenation over the In 2 O 3 catalyst.

Rui ZouMenghui LiuChenyang ShenKaihang SunChang-Jun Liu
Published in: Chemical communications (Cambridge, England) (2024)
The pressure dependent reaction mechanism of CO 2 hydrogenation over In 2 O 3 was investigated. CO 2 hydrogenation on In 2 O 3 can produce methanol only at high pressure, while the atmospheric pressure operation leads to the formation of CO. The conversion from HCOO* to H 3 CO* is accelerated at high pressure, leading to the formation of methanol with the formate route (CO 2 * → HCOO* → H 3 CO* → H 3 COH).
Keyphrases
  • carbon dioxide
  • ionic liquid
  • density functional theory
  • reduced graphene oxide
  • gold nanoparticles
  • molecular dynamics