The two-dimensional cobalt oxide (9 × 2) phase on Pd(100)

The Journal of Chemical Physics
L GragnanielloF P Netzer

Abstract

The two-dimensional (2D) Co oxide monolayer phase with (9 × 2) structure on Pd(100) has been investigated experimentally by scanning tunneling microscopy (STM) and theoretically by density functional theory (DFT). The high-resolution STM images reveal a complex pattern which on the basis of DFT calculations is interpreted in terms of a coincidence lattice, consisting of a CoO(111)-type bilayer with significant symmetry relaxation and height modulations to reduce the polarity in the overlayer. The most stable structure displays an unusual zig-zag type of antiferromagnetic ordering. The (9 × 2) Co oxide monolayer is energetically almost degenerate with the c(4 × 2) monolayer phase, which is derived from a single CoO(100)-type layer with a Co(3)O(4) vacancy structure. Under specific preparation conditions, the (9 × 2) and c(4 × 2) structures can be observed in coexistence on the Pd(100) surface and the two phases are separated by a smooth interfacial boundary line, which has been analyzed at the atomic level by STM and DFT. The here described 2D Co oxide nanolayer systems are characterized by a delicate interplay of chemical, electronic, and interfacial strain interactions and the associated complexities in the theoretical descrip...Continue Reading

References

Jan 15, 1985·Physical Review. B, Condensed Matter·J Tersoff, D R Hamann
Apr 15, 1990·Physical Review. B, Condensed Matter·D Vanderbilt
Jul 15, 1991·Physical Review. B, Condensed Matter·V I AnisimovO K Andersen
Oct 28, 1996·Physical Review Letters·J P PerdewM Ernzerhof
Sep 18, 2004·Journal of Computational Chemistry·C M Zicovich-WilsonR Dovesi
Jul 21, 2006·The Journal of Physical Chemistry. B·S AgnoliC Pisani
Sep 4, 2008·Physical Review Letters·W MeyerK Heinz
Apr 2, 2009·The Journal of Chemical Physics·C FranchiniF P Netzer
Apr 8, 2010·The Journal of Chemical Physics·Giovanni BarcaroAlessandro Fortunelli
Jul 2, 2008·Journal of Physics. Condensed Matter : an Institute of Physics Journal·M S Chen, D W Goodman
Jul 2, 2008·Journal of Physics. Condensed Matter : an Institute of Physics Journal·W MeyerK Heinz
Sep 30, 2009·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Paolo GiannozziRenata M Wentzcovitch

❮ Previous
Next ❯

Citations

Dec 5, 2012·Chemical Reviews·Claudine Noguera, Jacek Goniakowski
Dec 15, 2012·Chemical Reviews·Svetlozar SurnevFalko P Netzer
May 23, 2019·Physical Chemistry Chemical Physics : PCCP·Giovanni Barcaro, Alessandro Fortunelli
Jan 21, 2016·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Sebastian Otto, Thomas Fauster
Mar 29, 2013·Journal of Physics. Condensed Matter : an Institute of Physics Journal·K Heinz, L Hammer
Feb 20, 2015·ACS Nano·Alex S WaltonJeppe V Lauritsen

❮ Previous
Next ❯

Methods Mentioned

BETA
scanning tunneling microscopy
quartz microbalance
electron diffraction

Software Mentioned

QuantumEspresso
CRYSTAL

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.