The onset of sub-surface oxidation induced by defects in a chemisorbed oxygen layer

The Journal of Chemical Physics
Jonathan LiGuangwen Zhou

Abstract

We investigate the onset of internal oxidation of a Cu(110) surface induced by oxygen subsurface adsorption via defects in the Cu(110)-(2 × 1)-O chemisorbed layer. The presence of a boundary formed by merged add-row structure domains due to a mismatch of half unit-cell leads to preferred oxygen adsorption at the subsurface tetrahedral sites. The resulting distorted Cu-O tetrahedra along the domain boundary have comparable bond length and angles to those of the bulk oxide phase of Cu2O. Our results indicate that the presence of defects in the oxygen-chemisorbed adlayer can lead to the internal oxidation via the formation of Cu2O-like tetrahedra in between the topmost and second outermost atomic layers at the oxygen coverage θ = 0.53 and the second and third outermost atomic layers at θ = 0.56. These results show that the internal oxidation of a metal surface can occur in the very beginning of the oxygen chemisorption process enabled by the presence of defects in the oxygen chemisorbed layer.

References

Dec 15, 1994·Physical Review. B, Condensed Matter·P E Blöchl
Oct 15, 1996·Physical Review. B, Condensed Matter·G Kresse, J Furthmüller
Jul 15, 1996·Physical Review. B, Condensed Matter·T FujitaK i Tanaka
Aug 15, 1989·Physical Review. B, Condensed Matter·M Methfessel, A T Paxton
May 15, 1990·Physical Review. B, Condensed Matter·F JensenI Stensgaard
Nov 15, 1990·Physical Review. B, Condensed Matter·F JensenI Stensgaard
Jan 1, 1993·Physical Review. B, Condensed Matter·G Kresse, J Hafner
Oct 15, 1990·Physical Review Letters·R Feidenhans'lR L Johnson
Feb 19, 2002·Chemical Reviews·W. A. BrownD. A. King
Jun 13, 2002·Physical Review Letters·E LundgrenP Varga
Aug 23, 2002·Physical Review Letters·M TodorovaM Scheffler
Sep 13, 2002·Physical Review Letters·Guangwen Zhou, Judith C Yang
Jan 6, 2004·Nature Materials·A AtkinsonJ Vohs
Sep 14, 2006·Nano Letters·Brian WhiteStephen O'Brien
Jan 26, 2007·The Journal of Chemical Physics·M LampimäkiM Valden
Jul 1, 2011·Journal of the American Chemical Society·Fan YangJosé A Rodriguez
Jun 12, 2012·Physical Review Letters·Liang LiGuangwen Zhou
Feb 2, 2013·Physical Review Letters·Guangwen ZhouJudith C Yang

❮ Previous
Next ❯

Citations

Aug 1, 2016·The Journal of Chemical Physics·Xin LianGraeme Henkelman

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.

Related Papers

Physical Review. B, Condensed Matter
F JensenI Stensgaard
Journal of Physics. Condensed Matter : an Institute of Physics Journal
M HashinokuchiMichio Okada
Physical Review. B, Condensed Matter
J GhijsenM T Czyzyk
© 2022 Meta ULC. All rights reserved