Expanding the Reaction Network of Ethylene Epoxidation on Partially Oxidized Silver Catalysts

A Setiawan, T Pu, IE Wachs, S Rangarajan - ACS catalysis, 2024 - ACS Publications
An extended microkinetic model (MKM) for the selective oxidation of ethylene to ethylene
oxide (EO) is presented, based on an oxidic representation of the silver (Ag) surface …

The Role of steps on silver nanoparticles in electrocatalytic oxygen reduction

JJ Hinsch, J Liu, JJ White, Y Wang - Catalysts, 2022 - mdpi.com
Hydrogen fuel cell technology is an essential component of a green economy. However, it is
limited in practicality and affordability by the oxygen reduction reaction (ORR). Nanoscale …

Steering the Reaction Pathways of Terminal Alkynes by Introducing Oxygen Species: From C–C Coupling to C–H Activation

C Zhang, E Kazuma, Y Kim - Journal of the American Chemical …, 2022 - ACS Publications
Selective regulation of chemical reactions is crucial in chemistry. Oxygen, as a key reagent
in ubiquitous oxidative chemistry, exhibits great potential in regulating molecular …

Structure and Reactivity of Active Oxygen Species on Silver Surfaces for Ethylene Epoxidation

M Guo, N Dongfang, M Iannuzzi, JA van Bokhoven… - ACS …, 2024 - ACS Publications
The epoxidation of ethylene stands as one of the most important industrial catalytic
reactions, and silver-based catalysts show superior activity and selectivity. Oxygen is …

Simple and tailorable synthesis of silver nanoplates in gram quantities

R Mravljak, A Podgornik - ACS omega, 2023 - ACS Publications
Due to plasmonic and catalytic properties, silver nanoplates are of significant interest;
therefore, their simple preparation in gram quantities is required. Preferably, the method is …

Reinvestigating oxygen adsorption on Ag (111) by using strongly constrained and appropriately normed semi-local density functional with the revised Vydrov van …

JJ Hinsch, J Liu, Y Wang - The Journal of Chemical Physics, 2021 - pubs.aip.org
While density functional theory (DFT) at the generalized gradient approximation (GGA) level
has made great success in catalysis, it fails in some important systems such as the …

Towards the understanding of promoting effects of Re, Cs and Cl promoters for silver catalysts of ethylene epoxidation: A computational study

MA Salaev, AA Salaeva, OV Vodyankina - Catalysis Today, 2021 - Elsevier
Abstract Promoting effects of Cs, Re oxospecies, and Cl for silver catalysts of ethylene
epoxidation are studied computationally using the DFT approach. The promoters are shown …

Chlorine Adsorption on the Ag (110) Surface: STM and DFT Study

NS Komarov, VM Shevlyuga, BA Loginov… - The Journal of …, 2023 - ACS Publications
Adsorption of molecular chlorine onto the Ag (110) surface has been studied with low-
temperature scanning tunneling microscopy, low-energy electron diffraction, and density …

New insights into the structure of the Ag (111)-p (4× 4)-O phase: high-resolution STM and DFT study

BV Andryushechkin, TV Pavlova… - Physical Chemistry …, 2024 - pubs.rsc.org
The atomic structure of the Ag (111)-p (4× 4)-O phase was reexamined with scanning
tunneling microscopy (STM) and density functional theory. We discovered two different …

STM and DFT Study of Chlorine Adsorption on the Ag(111)-p(4 × 4)–O Surface

BV Andryushechkin, VM Shevlyuga… - The Journal of …, 2018 - ACS Publications
Coadsorption of chlorine and oxygen on the Ag (111) surface has been studied with low-
temperature scanning tunneling microscopy in combination with density functional theory …