Reactivity descriptors for ceria in catalysis

Abstract

Ceria has been very successfully employed in oxidation catalysis, whereas its application in other reactions has been less intensively investigated. The catalytic activity of ceria can be further enhanced by the use of dopants, and it exhibits structure sensitivity for numerous processes. The rich chemistry of cerium oxide is gathered and discussed in the present work, where the nature of each step of the most common reactions performed on it is assessed. Chemically intuitive computational and experimental descriptors, namely acid-base, redox, and structural features, are put forward to correlate the observed trends among the different doped and undoped facets. We have attempted to generate a robust framework that maps the chemically sound descriptors to the experimental fingerprints and theoretically calculated parameters

Developments in the Atomistic Modelling of Catalytic Processes for the Production of Platform Chemicals from Biomass

“…They encompass geometric, redox and acid‐base terms, leaving out second order contributions such as phase cooperation, multifunctionality of active sites, and site isolation . Our results show that elementary steps on different surfaces and in doped materials can be traced back to these parameters, particularly the redox terms, thus establishing a robust framework for future studies ,…”

“…[136] Our results show that elementary steps on different surfaces and in doped materials can be traced back to these parameters, particularly the redox terms, thus establishing a robust framework for future studies. [137,138] 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57…”

Role of Ceria in the Design of Composite Materials for Elemental Mercury Removal

“…Their high adsorption capacity, strong metal ion affinity and ability to remove toxic metals in low concentrations with the possibility of recovery, have rendered them attractive for Hg 0 removal at flue gas temperatures less than 250 °C . Among the investigated catalysts, CeO 2 (ceria) has attracted significant attention over the past decade due to its reversible Ce 3+ /Ce 4+ redox pair, surface acid‐base properties and defects . Hence, the scope of this personal account is to systematically review its role when it is employed as a promoter, active phase and support in composite materials that are deployed for gaseous Hg 0 removal.…”

“…[42,43] Among the investigated catalysts, CeO 2 (ceria) [44,45] has attracted significant attention over the past decade due to its reversible Ce 3 + / Ce 4 + redox pair, surface acid-base properties and defects. [46,47] Hence, the scope of this personal account is to systematically review its role when it is employed as a promoter, active phase and support in composite materials that are deployed for gaseous Hg 0 removal. For this reason, the focus is placed on the design of CeO 2 -based sorbents/catalysts as a function of the material synthesis routes, as well as the operating conditions (e. g. temperature, flue gas composition) during mercury removal process.…”

Synthesis of aqueous nanodispersed nanocrysralline ceria suspensions by a novel organic/inorganic precipitation method

“…as optical additive [3], as ionic conduction component of solid oxide fuel cells [4], in catalysis [5], gas sensors [6], ultraviolet absorbents and filters [7], photocatalytic oxidation [8], microelectronic and optoelectronic devices [9], etc.…”