Cu-Based Nanocatalysts for CO2 Hydrogenation to Methanol

PS Murthy, W Liang, Y Jiang, J Huang - Energy & Fuels, 2021 - ACS Publications
Production of methanol from CO2 hydrogenation is a highly attractive method toward
recycling greenhouse gases to form clean, high-value commodity chemicals and fuels, with …

Zirconia-modified copper catalyst for CO2 conversion to methanol from DFT study

L Liu, X Su, H Zhang, N Gao, F Xue, Y Ma, Z Jiang… - Applied Surface …, 2020 - Elsevier
The hydrogenation of carbon dioxide (CO 2) to methanol on (ZrO 2) 3/Cu (1 1 0) interface
has been investigated by periodic density functional theory (DFT) calculations. With regard …

Experimental and theoretical study unveiling the role of solvents on CO activation and hydrogenation to methanol in three-phase reactor system

V Pandey, R Singh, KK Pant, S Upadhyayula - Journal of Molecular …, 2023 - Elsevier
Syngas conversion to methanol in the slurry reactor is a developing technology where
selecting suitable solvent is a crucial step. The activity test were performed in the stirred tank …

Insight into the mechanism of methanol assistance with syngas conversion over partially hydroxylated γ-Al 2 O 3 (110D) surface in slurry bed

B Bai, H Bai, HJ Cao, ZH Gao, ZJ Zuo… - Physical Chemistry …, 2018 - pubs.rsc.org
Despite numerous studies devoted to the various properties of γ-Al2O3, the explorations of
its catalytic activity remain scarce. In this study, density functional theory calculations are …

DME synthesis from methanol over hydrated -Al2O3(110) surface in slurry bed using continuum and atomistic models

XY Gao, WH Jiao, ZJ Zuo, ZH Gao… - Journal of Theoretical …, 2017 - World Scientific
The possible paths of dimethyl ether (DME) synthesis from methanol over hydrated γ-Al2O3
(110) in vacuum and liquid paraffin have been investigated by using density functional …

Insight into the formation mechanism of CC chain in ethanol synthesis at the interface of partially hydroxylated γ-Al2O3 (110D) surface and polyethylene glycol solvent

B Bai, H Bai, L Zhang, HJ Cao, ZH Gao, W Huang - Molecular Catalysis, 2018 - Elsevier
A detailed reaction network has been constructed for ethanol synthesis at the interface of
partially hydroxylated γ-Al 2 O 3 (110D) surface and polyethylene glycol (PEG) solvent using …