Formation of chiral domains for tartaric acid on Cu(110): a combined DFT and kinetic Monte Carlo study

Article Abstract:

The (9 0,1 2) R,R-bitartrate structure on the unreconstructed Cu(110) surface in terms of pairwise first and second neighbor shell interactions and an adsorbate-induced surface stress along the copper rows, are analyzed. The formation of the (9 0,1 2)R,R-bitartrate structure during the simulated adsorption of R,R-bitartrate on Cu(110) is explained by using a kinetic Monte Carlo model that incorporates the pair wise interactions and the surface stress.

Science & research, All Other Basic Organic Chemical Manufacturing, Industrial organic chemicals, not elsewhere classified, Tartaric Acid, Research, Copper

---

Oxygen overlayers on Pd(111) studied by density functional theory

Article Abstract:

A systematic density functional theory (DFT)- gradient approximation (GGA) study of the on-surface adsorption of oxygen at Pd(111) in the sub-monolayer coverage range is presented. The calculations in the study concluded that on-surface adlayers at such higher coverages that may exist as metastable phases still possess qualitatively the same surface chemical bond as that which is found at low coverages.

Primary nonferrous metals, not elsewhere classified, Primary Smelting and Refining of Nonferrous Metal (except Copper and Aluminum), Oxygen, Industrial Gas Manufacturing, Palladium, Industrial gases

---

Similar abstracts:

• Abstracts: The orientation parameters for energy transfer in restricted geometries including block copolymer interfaces: A Monte Carlo study
• Abstracts: The structure of the chiral Pt{531} surface: A combined LEED and DFT study. Adsorption of cyclopentene on Pt(111) and ordered Pt(sub n)Sn/Pt(111) surface alloys
• Abstracts: Comparison of ribonucleic acid homopolymer ionization energies and charge injection barriers. Catalytic oxidation activity of [Pt.sub.3][O.sub.4] surfaces and thin films
• Abstracts: Investigation of sol-gel transition in pluronic F127/[D.sub.2]O solutions using a combination of small-angle neutron scattering and Monte Carlo simulation
• Abstracts: Hexane isomerization and cracking activity and intrinsic acidity of H-zeolite and sulfated zirconia-titania. part 2

This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.