Hydrogen dissociation controls 1-hexyne selective hydrogenation on dilute Pd-in-Au catalysts

HT Ngan, G Yan, JES Van Der Hoeven, RJ Madix… - ACS …, 2022 - ACS Publications
Increasing the selectivity of the catalytic hydrogenation of alkynes to alkenes is of major
importance for the processing of petrochemicals and the production of fine chemicals …

Competition of C‐C bond formation and C‐H bond formation For acetylene hydrogenation on transition metals: A density functional theory study

ZJ Zhao, J Zhao, X Chang, S Zha, L Zeng… - AIChE Journal, 2019 - Wiley Online Library
Selective hydrogenation of acetylene is an important reaction for production of polymer
grade ethylene. The green oil formation has great influence on the selectivity and activity of …

Engineering the surface architecture of highly dilute alloys: an ab initio Monte Carlo approach

KG Papanikolaou, MT Darby, M Stamatakis - ACS Catalysis, 2019 - ACS Publications
Highly dilute alloys of platinum group metals (PGMs: Pt, Rh, Ir, Pd, and Ni) with coinage
metals (Cu, Au, and Ag) serve as highly selective and coke-resistant catalysts in a number of …

Influence of surface defects on activity and selectivity: a quantitative study of structure sensitivity of Pd catalysts for acetylene hydrogenation

W Xie, P Hu - Catalysis Science & Technology, 2021 - pubs.rsc.org
As one of the essential processes in the energy industry, acetylene hydrogenation reactions
have been studied extensively in both experiment and theory. However, the fundamentals of …

Acetylene adsorption on Pd–Ag alloys: Evidence for limited island formation and strong reverse segregation from Monte Carlo simulations

E Vignola, SN Steinmann, K Le Mapihan… - The Journal of …, 2018 - ACS Publications
Restructuring of alloy surfaces induced by strongly bound adsorbates is a well-established
phenomenon occurring in catalysis and membrane science. In catalytic processes, this …

Selectivity control in alkyne semihydrogenation: Recent experimental and theoretical progress

XT Li, L Chen, C Shang, ZP Liu - Chinese Journal of Catalysis, 2022 - Elsevier
Researchers have been attempting to characterize heterogeneous catalysts in situ in
addition to correlating their structures with their activity and selectivity in spite of many …

Local coordination atom and metal types of single-atom catalysts to regulate catalytic performance of C2H2 selective hydrogenation

X Lan, W Zhao, M Fan, B Wang, R Zhang - Chemical Engineering Science, 2023 - Elsevier
The local coordination environment of anchoring single-atom metal is the design core of
single-atom catalysts (SACs). In this study, several kinds of single-atom M (M= Co, Ni, Cu, Pt …

Kinetics insights and active sites discrimination of Pd-catalyzed selective hydrogenation of acetylene

Y Cao, W Fu, Z Sui, X Duan, D Chen… - Industrial & Engineering …, 2019 - ACS Publications
Catalysis is a kinetics behavior, and developing the kinetics-assisted discrimination of the
active sites is an important yet challenging issue in the heterogeneous catalysis. Herein, we …

C2H2 Semi-hydrogenation over S-modified PdM IMCs: Tuning catalytic performance by surface S Atom, and metal M type and ratio

Y Wu, X Guo, X Shi, B Wang, M Fan, R Zhang - Applied Surface Science, 2023 - Elsevier
The space region of metal active site and metal types and ratios plays a crucial role in tuning
product selectivity based on the molecule size of target product and by-product. This work …

C2H2 Selective Hydrogenation to C2H4: Engineering the Surface Structure of Pd-Based Alloy Catalysts to Adjust the Catalytic Performance

W Zheng, Y Wang, B Wang, M Fan… - The Journal of …, 2021 - ACS Publications
The surface structure of the catalyst is a key factor to affect its catalytic performance toward
the targeted reaction. In this work, aiming at revealing the surface structure influences of Pd …