Angle-resolved and resonant photoemission study of the ZrO-like film on ZrC(1 0 0)

Edamoto, K.; Nagayama, Takanobu; Ozawa, K.; Otani, Shigeki

doi:10.1016/j.susc.2007.09.010

Cited by 8 publications

(2 citation statements)

References 25 publications

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“…The calculated DOS after surface relaxation of the ZrO-like layer on the ZrC (100) surface is shown in Figure . ARPES of the ZrO thin layer on ZrC (100) has been studied. , This experiment revealed the formation of a band structure at 4–8 eV below E f which was attributed to O 2p bands as well as new features at the Fermi level ( E f ). The O 2p band was finally assigned at 6.1 eV.…”

Section: Resultsmentioning

confidence: 99%

Periodic DFT and Atomistic Thermodynamic Modeling of Reactivity of H₂, O₂, and H₂O Molecules on Bare and Oxygen Modified ZrC (100) Surface

et al. 2014

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International audienceA comprehensive study was carried out using DFT calculation, together with statistical thermodynamics study of oxygen, hydrogen, and water sorption on the bare and ZrO-modified ZrC (100) surface. The bare ZrC (100) surface is found to be fully covered by oxygen whatever the temperature and pressure whereas it is free of hydrogen. Water adsorbs on the bare surface at temperatures below 200 K and dissociates into surface hydroxyl groups, but all water induced features are lost at room temperature. Oxygen modification further activates the (100) surface, and water adsorbs strongly as either atomic O with H2 release or into surface OH and H groups. Thermodynamic stability plots at 300 K for different water coverage predict coverage of 0.75 ML at >10–8 bar. These findings compare well with experimental photoemission studies published in the literature

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Section: Resultsmentioning

confidence: 99%

Periodic DFT and Atomistic Thermodynamic Modeling of Reactivity of H₂, O₂, and H₂O Molecules on Bare and Oxygen Modified ZrC (100) Surface

et al. 2014

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“…At elevated temperatures, the crystalline oxycarbide layer can become amorphous, from which the cubic/tetragonal zirconia nanocrystals will subsequently form. The cubic ZrO-like oxide was also reported to form after low-temperature oxidation, as confirmed by measurements involving photoelectron spectroscopy [394,396]. It is known that additions of higher valence metals into the ZrO 2 lattice will reduce oxygen vacancy concentration and diffusion, which reduce oxygen transport through the skeleton phase and so this may improve the oxidation/ablation resistance as well [1].…”

Section: Ablation and Oxidationmentioning

confidence: 95%

Selection, processing, properties and applications of ultra-high temperature ceramic matrix composites, UHTCMCs – a review

Binner

Porter

Baker

et al. 2020

International Materials Reviews

249

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April 1 st 2019 he was also the Deputy Head of the College of Engineering & Physical Sciences. He has been active in ceramics processing research since 1981 and has published ~220 refereed papers, as well as editing or contributing to 19 books and holding 7 patents with an 8 th recently submitted. He has attracted 129 research grants to date, totalling ~£16.5M, this includes a current portfolio of about £1.9M. The focus of his research is the generation of both the necessary scientific understanding and the required engineering solutions for the design and development of materials and process routes that display technical and/or economic advantages over existing approaches. The range of products worked on ranges from nanostructured to traditional ceramics, interpenetrating composites to ultra-high temperature ceramic matrix composites. He has worked closely with industry to translate key developments, e.g. through the creation of a spin-out company to develop a ceramic sensor for measuring soil matric potential (1991), or via licensing, e.g. manufacturing routes for producing engineering ceramic foams (1995) and nanostructured ceramics (2012). He has supervised 35 Ph.D. students and 2 M.Phil. students to successful completion and 38 postdoctoral researchers. A further 7 Ph.D. students and 6 postdoctoral researchers are currently being supervised with more positions currently advertised. His research has received both national and international recognition; he has given ~65 keynotes, plenary and invited talks at international conferences, whilst the Institute of Materials, Minerals and Mining has awarded him the Holliday Prize (1995), Ivor Jenkins Medal

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Zirconium Monocarbide

Shabalin¹

2019

Ultra-High Temperature Materials II

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Angle-resolved and resonant photoemission study of the ZrO-like film on ZrC(1 0 0)

Cited by 8 publications

References 25 publications

Periodic DFT and Atomistic Thermodynamic Modeling of Reactivity of H₂, O₂, and H₂O Molecules on Bare and Oxygen Modified ZrC (100) Surface

Periodic DFT and Atomistic Thermodynamic Modeling of Reactivity of H₂, O₂, and H₂O Molecules on Bare and Oxygen Modified ZrC (100) Surface

Selection, processing, properties and applications of ultra-high temperature ceramic matrix composites, UHTCMCs – a review

Zirconium Monocarbide

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Angle-resolved and resonant photoemission study of the ZrO-like film on ZrC(1 0 0)

Cited by 8 publications

References 25 publications

Periodic DFT and Atomistic Thermodynamic Modeling of Reactivity of H2, O2, and H2O Molecules on Bare and Oxygen Modified ZrC (100) Surface

Periodic DFT and Atomistic Thermodynamic Modeling of Reactivity of H2, O2, and H2O Molecules on Bare and Oxygen Modified ZrC (100) Surface

Selection, processing, properties and applications of ultra-high temperature ceramic matrix composites, UHTCMCs – a review

Zirconium Monocarbide

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Periodic DFT and Atomistic Thermodynamic Modeling of Reactivity of H₂, O₂, and H₂O Molecules on Bare and Oxygen Modified ZrC (100) Surface

Periodic DFT and Atomistic Thermodynamic Modeling of Reactivity of H₂, O₂, and H₂O Molecules on Bare and Oxygen Modified ZrC (100) Surface