Recent advances of Rh-based intermetallic nanomaterials for catalytic applications

L Zhu, C Li, Q Yun, S Han, Y Lv, Q Lu, J Chen - Chinese Chemical Letters, 2023 - Elsevier
Rhodium (Rh) has received widespread attention in fundamental catalytic research and
numerous industrial catalytic applications. Compared to homogeneous catalysts, Rh-based …

Perspective on computational reaction prediction using machine learning methods in heterogeneous catalysis

J Xu, XM Cao, P Hu - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
Heterogeneous catalysis plays a significant role in the modern chemical industry. Towards
the rational design of novel catalysts, understanding reactions over surfaces is the most …

Application of Intermetallic Compounds as Catalysts for the Selective Hydrogenation of CO2 to Methanol

C Quilis, N Mota, E Millán, B Pawelec… - …, 2024 - Wiley Online Library
Direct catalytic conversion of CO2 to methanol via renewable hydrogen has emerged as a
promising technology among the various CO2 conversion techniques. However, efficient …

Structure sensitivity of ethanol steam reforming over the Rh catalyst: Reaction kinetics and deactivation mechanisms

H Wu, B Yang - Applied Surface Science, 2023 - Elsevier
Rh catalyst exhibits high activity and selectivity of hydrogen production for ethanol steam
reforming (ESR). In this work, we used density functional theory calculations and …

Mechanism of Methanol Synthesis from CO2 Hydrogenation over Pt8/In2O3 Catalysts: A Combined Study on Density Functional Theory and Microkinetic Modeling

X Wang, J Pan, H Wei, W Li, J Zhao… - The Journal of Physical …, 2022 - ACS Publications
In2O3-based catalysts have attracted considerable attention in CO2 hydrogenation to
methanol reactions, thanks to their excellent CO2 conversion rate and methanol selectivity …

Promoted coke resistance of Ni by surface carbon for the dry reforming of methane

Z Guo, S Chen, B Yang - Iscience, 2023 - cell.com
Dry reforming of methane (DRM) is an efficient process to transform methane and carbon
dioxide to syngas. Nickel could show good catalytic activity for DRM, whereas the …

Theoretical Investigation of the Properties of Pd2Cu Intermetallics and CO2 Hydrogenation to Ethanol Catalyzed on Pd2Cu (110)

H Guo, TT Shi, JT Chen, ZX Chen - The Journal of Physical …, 2023 - ACS Publications
Intermetallics or ordered alloys are catalytically more advantageous than solid solution
alloys. The B 2 phase Pd2Cu intermetallics exhibit excellent catalytic properties for CO2 …

A new adsorption energy-barrier relation and its application to CO 2 hydrogenation to methanol over In 2 O 3-supported metal catalysts

D Yang, H Lu, G Zeng, ZX Chen - Chemical Communications, 2023 - pubs.rsc.org
Herein, we report a new adsorption energy-barrier relation, the adsorbate-dependent barrier
scaling (ADBS) relation, with which the catalytic activity of In2O3-supported metal catalysts …

Promotion of activity and stability mechanisms of adjusting the Co ratio in nickel-based catalysts for dry reforming of methane reaction

T Cui, Q Chen, Y Zhang, B Nie, B Yang - Molecular Catalysis, 2024 - Elsevier
The dry reforming of methane plays a vital role in carbon recycling. However, despite their
high activity, Ni catalysts are susceptible to deactivation caused by the deposition of carbon …

Theoretical Insights into the Formation Mechanism of Methane, Ethylene and Methanol in Fischer‐Tropsch Synthesis at Co2C Surfaces

J Zaffran, B Yang - ChemCatChem, 2021 - Wiley Online Library
Fischer‐Tropsch synthesis (FTS) is an attractive opportunity to prepare fuels and chemicals,
avoiding fossil resources exploration. Co2C was recently demonstrated to exhibit …