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Computational insights into promoting effects of alkali metals, Re, and Cl for silver catalysts of ethylene epoxidation
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In this article, the effects of Re oxospecies, Cl, and alkali metal (AM) promoters for silver catalysts of ethylene epoxidation are considered using the DFT approach.About:
This article is published in Molecular Catalysis.The article was published on 2021-05-01. It has received 2 citations till now. The article focuses on the topics: Ethylene oxide & Catalysis.read more
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Factors controlling oxophilicity and carbophilicity of transition metals and main group metals
TL;DR: In this article, a predictive model was proposed to predict oxophilic and carbophilic properties of transition metals and main group metals, including DFT-calculated adsorption energies and experimental formation energies.
Journal Article
STM and DFT Study of Chlorine Adsorption on the Ag(111)-p(4 × 4)–O Surface
Boris V. Andryushechkin,V. M. Shevlyuga,T. V. Pavlova,G. M. Zhidomirov,Konstantin N. Eltsov,Konstantin N. Eltsov +5 more
TL;DR: In this article, it was shown that the adsorption of chlorine on the Ag(111)-p(4 × 4) O surface occurs dissociatively, with chlorine atoms displacing oxygen atoms from the 4-fold positions.
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Journal ArticleDOI
Rhenium as a promoter for ethylene epoxidation
TL;DR: In this article, the effect of rhenium-modified silver catalysts on the degradation of the silver-oxygen bond was investigated, and it was found that the effect could improve the selectivity of ethene oxide.
Journal ArticleDOI
Structure sensitivity of silver-catalyzed ethylene epoxidation
TL;DR: In this article, the influence of particle size (20-200 nm) of Ag/α-Al2O3 catalysts for epoxidation of ethylene to ethylene oxide (EO) under industrial conditions was investigated.
Journal ArticleDOI
Oxidation of lithium monolayers on silver(111). A study by AES, work function and secondary emission changes
S.D. Parker,G.E. Rhead +1 more
TL;DR: The work function variations on oxygen adsorption exhibit remarkable changes as the coverage of pre-adsorbed lithium is increased as discussed by the authors, indicating incorporation of oxygen in an underlayer.
Journal ArticleDOI
Kinetics of Ethylene Epoxidation on a Promoted Ag/α‐Al2O3 Catalyst—The Effects of Product and Chloride Co‐Feeds on Rates and Selectivity
TL;DR: A model involving a common reaction intermediate for ethylene oxide and carbon dioxide synthesis and two types of atomically adsorbed oxygen species-nucleophilic and electrophilic oxygen-is proposed to plausibly describe the observed reaction rate dependencies and selectivity trends as a function of the chloriding effectiveness.
Journal ArticleDOI
Promoting effects of Re and Cs on silver catalyst in ethylene epoxidation
TL;DR: In this article, the authors describe the promoting effects of adding Re and Cs to electrolytic silver, on ethylene epoxidation and the adsorption of oxygen on the sample surface.