Hydrogen dissociation controls 1-hexyne selective hydrogenation on dilute Pd-in-Au catalysts
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 …
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
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 …
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
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 …
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
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 …
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 …
phenomenon occurring in catalysis and membrane science. In catalytic processes, this …
Selectivity control in alkyne semihydrogenation: Recent experimental and theoretical progress
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 …
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 …
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
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 …
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 …
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 …
the targeted reaction. In this work, aiming at revealing the surface structure influences of Pd …