Expanding the Reaction Network of Ethylene Epoxidation on Partially Oxidized Silver Catalysts
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 …
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
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 …
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 …
in ubiquitous oxidative chemistry, exhibits great potential in regulating molecular …
Structure and Reactivity of Active Oxygen Species on Silver Surfaces for Ethylene Epoxidation
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 …
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 …
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 …
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 …
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 …
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 …
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 …
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 …
temperature scanning tunneling microscopy in combination with density functional theory …