Improving Generation Performance of 1O2 by Atomic Do** for Efficient Catalytic Advanced Oxidation Processes

D Qi, J Wang, J Zhang, K Su, J Xu, W Lv… - Advanced Functional …, 2024 - Wiley Online Library
Abstract Singlet oxygen (1O2) has attracted great attention owing to its superior
comprehensive oxidizing performance and extensive application in dealing with ever …

Single-Atom Alloy Formation via Reaction-Driven Catalyst Restructuring

G Giannakakis, Y Soni, GL Novotny, Z Zha… - Journal of the …, 2024 - ACS Publications
We demonstrate that single-atom alloy catalysts can be made by exposing physical mixtures
of monometallic supported Cu and Pd catalysts to vinyl acetate (VA) synthesis reaction …

Biomimetic Control over Bimetallic Nanoparticle Structure and Activity via Peptide Cap** Ligand Sequence

M **e, R Shimogawa, Y Liu, L Zhang, AC Foucher… - ACS …, 2024 - ACS Publications
The controlled design of bimetallic nanoparticles (BNPs) is a key goal in tailoring their
catalytic properties. Recently, biomimetic pathways demonstrated potent control over the …

Theoretical insights into the dissociation and oxidation of ethylene during vinyl acetate synthesis

X Guan, Y Yu, M Zhang - Molecular Catalysis, 2023 - Elsevier
Gas phase synthesis of vinyl acetate from ethylene over Pd-Au catalyst is one of the
mainstream processes. During the synthesis of vinyl acetate, the surface C generated by the …

A combination of DFT and kMC to solve two engineering problems in the production of vinyl acetate

X Guan, Y Yu, M Zhang - Molecular Catalysis, 2024 - Elsevier
Vinyl acetate is one of the important chemical raw materials for the production of polyvinyl
alcohol and polyvinyl acetate, and ethylene gas phase process is one of its mainstream …

Promotional Role of Acid Sites on Aluminosilicate-Supported PdAu for Vinyl Acetate Synthesis

HP Jacobs, WC Elias, KN Heck, DP Dean… - ACS …, 2023 - ACS Publications
PdAu catalysts supported on both pure silica and aluminosilicates and promoted with KOAc
are the most active and selective compositions for the industrial-scale acetoxylation of …

Basics of the reaction kinetics on metallic alloys

VP Zhdanov - Physical Review E, 2024 - APS
Kinetics of heterogeneous catalytic reactions are often complicated by various factors, and
from the perspective of statistical physics the development of the corresponding models is …

Impregnation of KOAc on PdAu/SiO 2 causes Pd-acetate formation and metal restructuring

HP Jacobs, WC Elias, KN Heck, DP Dean… - Journal of Materials …, 2023 - pubs.rsc.org
Potassium-promoted, oxide-supported PdAu is catalytically active for the gas-phase
acetoxylation of ethylene to form vinyl acetate monomer (VAM), in which the potassium …

Elementary steps of catalytic reactions occurring on metallic alloy nanoparticles

VP Zhdanov - ChemPhysChem, 2025 - Wiley Online Library
Catalytic reactions running in an adsorbed overlayer on metallic alloy nanoparticles are of
high interest in the context of applications in the chemical industry. The understanding of the …

Oxygen effect on the synthesis of vinyl acetate on Pd (100) and Pd/Au (100) surfaces: A periodic DFT study

Z Liu, P Qiu, H Sun, L Sun, Z Zeng, Z Liu - Molecular Catalysis, 2023 - Elsevier
Vinyl acetate is mainly produced by oxidative acetoxylation of ethylene over the Pd/Au
bimetallic heterogeneous catalyst. This process requires the involvement of oxygen, but the …