Non-equilibrium oxidation states of zirconium during early stages of metal oxidation

Ma, Wen; Senanayake, Sanjaya D.; Herbert, F. William; Yildiz, Bilge

doi:10.1063/1.4914180

Title: Non-equilibrium oxidation states of zirconium during early stages of metal oxidation

Journal Article · Wed Mar 11 00:00:00 EDT 2015 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4914180· OSTI ID:1234379

Ma, Wen ^[1]; Senanayake, Sanjaya D. ^[2]; Herbert, F. William ^[1]; Yildiz, Bilge ^[1]

Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States)

The chemical state of Zr during the initial, self-limiting stage of oxidation on single crystal zirconium (0001), with oxide thickness on the order of 1 nm, was probed by synchrotron x-ray photoelectron spectroscopy. Quantitative analysis of the Zr 3d spectrum by the spectrum reconstruction method demonstrated the formation of Zr¹⁺, Zr²⁺, and Zr³⁺ as non-equilibrium oxidation states, in addition to Zr⁴⁺ in the stoichiometric ZrO₂. This finding resolves the long-debated question of whether it is possible to form any valence states between Zr⁰ and Zr⁴⁺ at the metal-oxide interface. As a result, the presence of local strong electric fields and the minimization of interfacial energy are assessed and demonstrated as mechanisms that can drive the formation of these non-equilibrium valence states of Zr.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC00112704; 12-026

OSTI ID:: 1234379

Alternate ID(s):: OSTI ID: 1420494

Report Number(s):: BNL-111675-2015-JA; APPLAB; R&D Project: CO009; KC0302010

Journal Information:: Applied Physics Letters, Vol. 106, Issue 10; ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 32 works

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