Are multiple oxygen species selective in ethylene epoxidation on silver?

We show atomic oxygen on an unreconstructed Ag(110) surface has a O 1s binding energy ≤ 528 eV and its stable at low coverages. Our findings point to the idea of multiple selective oxygen species in ethylene epoxidation on Ag.

• Publication year

  2017

• Venue

  Chemical Science

• Publication date

  2017-11-27

• Fields of study

  Medicine, Chemistry

• Identifiers
  DOI 10.1039/c7sc04728bPMID 29629166PMCID 5874983
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Validation of Density Functionals for Adsorption Energies on Transition Metal Surfaces.

  2017cited by this paper
• Mechanistic insight into the facet-dependent selectivity of ethylene epoxidation on Ag nanocatalysts

  2017cited by this paper
• Origin of enhanced ethylene oxide selectivity by Cs-promoted silver catalyst

  2017cited by this paper
• Oxidation of Ethylene on Oxygen Reconstructed Silver Surfaces

  2016cited by this paper
• A study of the O/Ag(111) system with scanning tunneling microscopy and x-ray photoelectron spectroscopy at ambient pressures

  2016cited by this paper
• Insights into the Electronic Structure of the Oxygen Species Active in Alkene Epoxidation on Silver

  2015cited by this paper
• Thermodynamic and spectroscopic properties of oxygen on silver under an oxygen atmosphere.

  2015cited by this paper
• Pseudopotentials periodic table: From H to Pu

  2014cited by this paper
• Desorption kinetics from a surface derived from direct imaging of the adsorbate layer

  2014cited by this paper
• Promoters in heterogeneous catalysis: the role of Cl on ethylene epoxidation over Ag

  2014cited by this paper
• Locating Catalytically Active Oxygen on Ag(1 1 1)—A Spectromicroscopy Study

  2013cited by this paper
• The Mechanism of Ethylene Epoxidation Catalysis

  2013cited by this paper
• Investigation of solid/vapor interfaces using ambient pressure X-ray photoelectron spectroscopy.

  2013cited by this paper
• High-pressure scanning tunneling microscopy of a silver surface during catalytic formation of ethylene oxide.

  2013cited by this paper
• Effect of Surface and Oxygen Coverage on Ethylene Epoxidation

  2012cited by this paper
• Van der Waals interactions in solids using the exchange-hole dipole moment model.

  2012cited by this paper
• The silver-oxygen system in catalysis: new insights by near ambient pressure X-ray photoelectron spectroscopy.

  2012cited by this paper
• Ethylene Epoxidation over Silver Catalysts

  2011cited by this paper
• O2 dissociation before the onset of added row nucleation on Ag(110): an atomistic scanning tunnelling microscopy view

  2010cited by this paper
• QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

  2009cited by this paper
• Investigation of Ethylene Oxide on Clean and Oxygen-Covered Ag(110) Surfaces

  2009cited by this paper
• Engineering selectivity in heterogeneous catalysis: Ag nanowires as selective ethylene epoxidation catalysts.

  2008cited by this paper
• Surface chemistry of Ag particles: identification of oxide species by aberration-corrected TEM and by DFT calculations.

  2008cited by this paper
• What determines the catalyst's selectivity in the ethylene epoxidation reaction

  2008cited by this paper
• Towards an understanding of promoter action in heterogeneously catalyzed ethene epoxidation: Why chlorine is the best halogen

  2008cited by this paper
• On the Role of Subsurface Oxygen and Ethylenedioxy in Ethylene Epoxidation on Silver.

  2007cited by this paper
• Exchange-hole dipole moment and the dispersion interaction revisited.

  2007cited by this paper
• Subsurface Oxygen Stabilization by a Third Species: Carbonates on Ag(210)

  2007cited by this paper
• Combined in-situ XPS and PTRMS Study of Ethylene Epoxidation over Silver

  2006cited by this paper
• Monitoring super- and subsurface oxygen on Ag(210) by high energy resolution X-ray photoelectron spectroscopy: subsurface diffusion and segregation.

  2006cited by this paper
• Ethene epoxidation selectivity inhibited by twisted oxametallacycle: a DFT study on Ag surface-oxide.

  2005cited by this paper
• On the mechanism of Cs promotion in ethylene epoxidation on Ag.

  2004cited by this paper
• Polarized high-brilliance and high-resolution soft x-ray source at ELETTRA: The performance of beamline BACH

  2004cited by this paper
• Microkinetic modeling of ethylene oxidation over silver

  2004cited by this paper
• Atomic oxygen species on silver: Photoelectron spectroscopy and x-ray absorption studies

  2003cited by this paper
• Why is a noble metal catalytically active? The role of the O-Ag interaction in the function of silver as an oxidation catalyst.

  2003cited by this paper
• Control of ethylene epoxidation selectivity by surface oxametallacycles.

  2003cited by this paper
• Insights into the function of silver as an oxidation catalyst by ab initio atomistic thermodynamics

  2003cited by this paper
• The Study of the Nature of Adsorbed Species to Build a Bridge between Surface Science and Catalysis: Problems of Pressure and Material Gap

  2003cited by this paper
• Construction of a reaction coordinate and a microkinetic model for ethylene epoxidation on silver from DFT calculations and surface science experiments

  2003cited by this paper
• Thermal dissociation of chemisorbed oxygen molecules on Ag(110): an investigation by scanning tunnelling microscopy

  2002cited by this paper
• BACH, the beamline for advanced dichroic and scattering experiments at ELETTRA

  2001cited by this paper
• X-Ray Absorption and Photoemission Studies of the Active Oxygen for Ethylene Epoxidation over Silver

  2001cited by this paper
• Atomic imaging of the transition between oxygen chemisorption and oxide film growth on Ag{1 1 1}

  2000cited by this paper
• THERMAL CONTRACTION AND DISORDERING OF THE AL(110) SURFACE

  1999cited by this paper
• FORMATION MECHANISM OF THE O-INDUCED ADDED-ROW RECONSTRUCTION ON AG(110): A LOW-TEMPERATURE STM STUDY

  1998cited by this paper
• Surface science and the silver-catalyzed epoxidation of ethylene: an industrial perspective

  1998cited by this paper
• Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]

  1997cited by this paper
• CO oxidation by atomically adsorbed oxygen on Ag(110) in the temperature range 100–300 K

  1997cited by this paper
• Direct observation of mobility and interactions of oxygen molecules chemisorbed on the Ag(110) surface

  1997cited by this paper
• Generalized Gradient Approximation Made Simple.

  1996cited by this paper
• Evidence for two kinetically distinct atomic oxygen species on Ag(110): a molecular beam study of the CO oxidation reaction

  1995cited by this paper
• Steps as adatom sources for surface chemistry: oxygen overlayer formation on Ag(110)

  1995cited by this paper
• Handbook of X Ray Photoelectron Spectroscopy: A Reference Book of Standard Spectra for Identification and Interpretation of Xps Data

  1995cited by this paper
• Initial sticking coefficient of O2 on Ag(110)

  1994cited by this paper
• Study of reactivity of oxygen states adsorbed at a silver surface towards C2H4 by XPS, TPD and TPR

  1994cited by this paper
• Stages in the Modification of a Silver Surface for Catalysis of the Partial Oxidation of Ethylene: II. Action of the Reaction Medium

  1994cited by this paper
• Stages in the Modification of a Silver Surface for Catalysis of the Partial Oxidation of Ethylene: I. Action of Oxygen

  1994cited by this paper
• Low-temperature dissocation of O2 on Ag(110): Surface disorder and reconstruction.

  1994cited by this paper
• Evidence for site-sensitive screening of core holes at the Si and Ge (001) surface.

  1993cited by this paper
• Handbook of X-Ray Photoelectron Spectroscopy

  1992cited by this paper
• Two oxygen states and the role of carbon in partial oxidation of ethylene over silver

  1990cited by this paper
• Chemisorption of oxygen, chlorine, hydrogen, hydroxide, and ethylene on silver clusters: A model for the olefin epoxidation reaction

  1989cited by this paper
• The state of oxygen on the surface of polycrystalline silver

  1989cited by this paper
• Dissociative adsorption of O2 on Ag(111)

  1989cited by this paper
• The surface atomic oxyradical mechanism for Ag-catalyzed olefin epoxidation☆

  1988cited by this paper
• The mechanism of ethylene epoxidation

  1986cited by this paper
• The mechanism of ethylene epoxidation

  1986cited by this paper
• Atomic and molecular oxygen adsorption on Ag(111)

  1985cited by this paper
• Ethylene oxide isomerisation on single-crystal Ag(111) in atomically clean and Cs-moderated conditions

  1985cited by this paper
• ALKALI-METAL PROMOTERS AND CATALYSIS - A SINGLE-CRYSTAL INVESTIGATION OF ETHYLENE EPOXIDATION ON CS-DOPED AG(111)

  1985cited by this paper
• Model studies of ethylene epoxidation catalyzed by the Ag(110) surface

  1984cited by this paper
• The interactions of O2, CO and CO2 with Ag(110)

  1984cited by this paper
• Chemisorption of oxygen at Ag(110) surfaces and its role in adsorbate activation

  1983cited by this paper
• Formation and decomposition of acetate intermediates on the Ag(110) surface

  1981cited by this paper
• A study of the adsorption of oxygen on silver at high pressure by electron spectroscopy

  1979cited by this paper
• Ellipsometry-LEED study of oxygen adsorption and the carbon monoxide- oxygen interaction on Ag(110)

  1978cited by this paper
• Catalytic oxidation: VI. Oxidation of labeled olefins over silver

  1978cited by this paper
• Ellipsometric study of oxygen adsorption and the carbon monoxide-oxygen interaction on ordered and damaged Ag(111)

  1977cited by this paper
• Adsorption of oxygen on silver single crystal surfaces

  1976cited by this paper

• Direct Observation of Hydroxyls Formed from Water and Oxygen on Ag(100).

  2026cites this paper
• Dual-Platform Chemochromic Sensor for Low Concentration Hydrogen Gas Detection using Y2O3/Pd Nanocomposite- incorporated Functional Polymer: An experiment and DFT approach

  2025cites this paper
• Fluorescence Modulation in UiO-66-NH2 via Photooxidation and Selective Reduction

  2025cites this paper
• A Review on Production of Ethylene Oxide from Epoxidation of Ethylene: Catalysis, Mechanism and Kinetics

  2025cites this paper
• Direct partial oxidation of ethane to ethylene oxide by plasma-catalysis: effects of ethane separate feed and Ag catalysts with Cu and Ni promoters

  2025cites this paper
• Progress and Perspective on the Fundamental Understanding of Structure – Activity/Selectivity Relationships for Ag Catalyzed Ethylene Epoxidation

  2025cites this paper
• Nickel promotes selective ethylene epoxidation on silver.

  2025cites this paper
• Recent Developments in Heterogeneous Catalyzed Epoxidation of Ethylene to Ethylene Oxide.

  2025cites this paper
• Tailoring the Electronic Metal-Support Interactions in Supported Silver Catalysts through Al modification for Efficient Ethylene Epoxidation.

  2024cites this paper
• Surface Science Study on Catalytic Surfaces under Working Conditions with Soft-X-Ray Surface Spectroscopy at the Photon Factory

  2024cites this paper
• Carbon–metal versus metal–metal synergistic mechanism of ethylene electro-oxidation via electrolysis of water on TM2N6 sites in graphene

  2024cites this paper
• Structure and Reactivity of Active Oxygen Species on Silver Surfaces for Ethylene Epoxidation

  2024cites this paper
• What leads to direct epoxidation? An exhaustive DFT investigation of electrophilic oxygen mediated epoxidation of ethylene on Ag(100)

  2024cites this paper
• Square-pyramidal subsurface oxygen [Ag4OAg] drives selective ethene epoxidation on silver

  2024cites this paper
• Dispersed Cu (Ni, Co) in MN3 moiety on graphene as active site via electrolytic water towards electro-epoxidation of ethylene

  2024cites this paper
• Metal-oxide interactions modulating the activity of active oxygen species on atomically dispersed silver catalysts.

  2023cites this paper
• Revealing the Nature of Active Oxygen Species and Reaction Mechanism of Ethylene Epoxidation by Supported Ag/α-Al2O3 Catalysts

  2023cites this paper
• Ozonative epoxidation of ethylene: A novel process for production of ethylene oxide

  2023cites this paper
• Dynamic catalysis of sub-nanometer metal clusters in oxygen dissociation

  2023cites this paper
• Heterogeneous selective oxidation over supported metal catalysts: from nanoparticles to single atoms

  2023cites this paper
• Ni/Ce co-doping δ-MnO2 nanosheets with oxygen vacancy for enhanced electrocatalytic oxygen evolution reaction

  2022cites this paper
• Adsorbed Oxygen Ions and Oxygen Vacancies: Their Concentration and Distribution in Metal Oxide Chemical Sensors and Influencing Role in Sensitivity and Sensing Mechanisms

  2022cites this paper
• Unraveling the Synergistic Effect of Re and Cs Promoters on Ethylene Epoxidation over Silver Catalysts with Machine Learning-Accelerated First-Principles Simulations

  2022cites this paper
• Active Site of Catalytic Ethene Epoxidation: Machine-Learning Global Pathway Sampling Rules Out the Metal Sites

  2021cites this paper
• Ethylene oxidation on unpromoted silver catalysts: Reaction pathway and selectivity analysis using DFT calculations

  2021cites this paper
• In Situ Characterization of Catalysis and Electrocatalysis Using APXPS

  2021cites this paper
• Formaldehyde Selectivity in Methanol Partial Oxidation on Silver: Effect of Reactive Oxygen Species, Surface Reconstruction, and Stability of Intermediates

  2021cites this paper
• Surface composition of AgPd single-atom alloy catalyst in an oxidative environment.

  2021cites this paper
• Structural Inhibition of Silver Surface Oxidation

  2021cites this paper
• Ultimate Resourcization of Waste: Crab Shell-Derived Biochar for Antimony Removal and Sequential Utilization as an Anode for a Li-Ion Battery

  2021cites this paper
• Mechanistic insights into the oxidation of catalytically relevant AgCu near‐surface alloy interfaces

  2021cites this paper
• Low-Temperature Heterogeneous Oxidation Catalysis and Molecular Oxygen Activation

  2021cites this paper
• Identification of Adsorbed Species and Surface Chemical State on Ag(111) in the Presence of Ethylene and Oxygen Studied with Infrared and X-ray Spectroscopies

  2021cites this paper
• Computational and Experimental Insights into Reactive Forms of Oxygen Species on Dynamic Ag Surfaces under Ethylene Epoxidation Conditions

  2021cites this paper
• Towards the understanding of promoting effects of Re, Cs and Cl promoters for silver catalysts of ethylene epoxidation: A computational study

  2020cites this paper
• Nanocatalysts Unravel the Selective State of Ag

  2020cites this paper
• Unravelling Reaction Products of Styrene Oxide Adsorbed on Ag(111) Using REMPI-Assisted Temperature-Programmed Desorption

  2020cites this paper
• The Catalytic Mechanics of Dynamic Surfaces: Stimulating Methods for Promoting Catalytic Resonance

  2020cites this paper
• Catalytic resonance theory: parallel reaction pathway control†

  2019cites this paper
• Combustion research for chemical processing

  2019cites this paper
• Re- and Cs-Copromoted Silver Catalysts for Ethylene Epoxidation: A Theoretical Study

  2019cites this paper
• Revisit the Role of Chlorine in Selectivity Enhancement of Ethylene Epoxidation

  2019cites this paper
• Overview of Selective Oxidation of Ethylene to Ethylene Oxide by Ag Catalysts

  2019cites this paper
• Ca–Ag compounds in ethylene epoxidation reaction

  2019cites this paper
• Off-Stoichiometric Reactions at the Cell–Substrate Biomolecular Interface of Biomaterials: In Situ and Ex Situ Monitoring of Cell Proliferation, Differentiation, and Bone Tissue Formation

  2019cites this paper
• Progress Report on: Sulfur in Ethylene Epoxidation on Silver (SEES2)

  2019cites this paper
• A mini review of in situ near-ambient pressure XPS studies on non-noble, late transition metal catalysts

  2019cites this paper
• Understanding Catalyst Surfaces during Catalysis through Near Ambient Pressure X-ray Photoelectron Spectroscopy.

  2019cites this paper
• The synergistic effect between crystal planes and promoters on Ag-catalyzed ethylene epoxidation

  2019cites this paper
• Supported Ag Nanoparticles and Clusters for CO Oxidation: Size Effects and Influence of the Silver–Oxygen Interactions

  2019cites this paper
• Automatic Prediction of Surface Phase Diagrams Using Ab Initio Grand Canonical Monte Carlo

  2019cites this paper
• Enantioselective Epoxypyrrolidines via a Tandem Cycloaddition/Autoxidation in Air and Mechanistic Studies.

  2018cites this paper
• Moderation of chlorine coverage and ethylene epoxidation kinetics via ethane oxychlorination over promoted Ag/α-Al2O3

  2018cites this paper
• The nature of electrophilic oxygen: Insights from periodic density functional theory investigations

  2018cites this paper
• Kinetics of Ethylene Epoxidation on a Promoted Ag/α-Al2 O3 Catalyst-The Effects of Product and Chloride Co-Feeds on Rates and Selectivity.

  2018cites this paper
• The Selective Species in Ethylene Epoxidation on Silver

  2018cites this paper
• Chemical Behaviour of CaAg2 under Ethylene Epoxidation Conditions

  2018cites this paper
• Anisotropic Reactivity of CaAg under Ethylene Epoxidation Conditions.

  2018cites this paper