Oxidation electronics: bond–band–barrier correlation and its applications

CQ Sun - Progress in materials science, 2003 - Elsevier
This report features the recent progress in understanding the behaviour of atoms and
valence electrons involved in the process of oxidation, and some technological development …

Molecular processes of adsorption and desorption of alkanethiol monolayers on Au (111)

H Kondoh, C Kodama, H Sumida… - The Journal of chemical …, 1999 - pubs.aip.org
The adsorption and desorption of n-alkanethiol monolayers on Au111 have been studied
under ultrahigh-vacuum condition by the use of scanning tunneling microscopy STM …

First principles calculation of oxygen adsorption and reconstruction of Cu (110) surface

SY Liem, G Kresse, JHR Clarke - Surface science, 1998 - Elsevier
We have carried out first principles calculations for the adsorption of oxygen on the Cu (110)
surface. The stable adsorption sites of chemisorbed atomic oxygen on the clean …

Surface Structure Sensitivity of the Water−Gas Shift Reaction on Cu(hkl) Surfaces:  A Theoretical Study

Wang, L Jiang, Cai, Pan, Zhao, W Huang… - The Journal of …, 2003 - ACS Publications
The surface structure sensitivity of the water− gas shift (WGS) reaction (CO+ H2O→ CO2+
H2) over the Cu (111), Cu (100), and Cu (110) surfaces has been studied by first-principles …

Activation of O2 on Cu, Ag, and Au surfaces for the epoxidation of ethylene: dipped adcluster model study

H Nakatsuji, ZM Hu, H Nakai, K Ikeda - Surface science, 1997 - Elsevier
Aiming to clarify why only silver is an effective catalyst for the partial oxidation of ethylene,
we studied theoretically the reactivity and the stability of oxygen species on Cu, Ag, and Au …

Adsorption, diffusion, and vibration of oxygen on

TB Rawal, S Hong, A Pulkkinen, M Alatalo, TS Rahman - Physical Review B, 2015 - APS
We have employed ab initio density functional theory (DFT) to study the adsorption,
dissociation, diffusion, and vibration of oxygen on Ag (110). We find that the fourfold-hollow …

Electronic structure investigation of Cu (110), Ag (110) and Ni (110) surfaces covered with chemisorbed oxygen up to half a monolayer

R Courths, S Hüfner, P Kemkes, G Wiesen - Surface science, 1997 - Elsevier
Angle-resolved photoemission (ARUPS) excited with polarized light is used to investigate
the number, energies and symmetries of occupied oxygen-induced surface states as a …

CO adsorption and oxidation on oxygen precovered Cu (110) at 150 K: reactivity of two types of adsorbed atomic oxygen determined by scanning tunneling …

WW Crew, RJ Madix - Surface science, 1996 - Elsevier
Scanning tunneling microscopy (STM) was used to investigate the reaction of carbon
monoxide with atomic oxygen on Cu (110) in the steady state at 150 K. Oxygen dosed at 150 …

O/Ag (100) surface: A density functional study with slab model

Y Wang, LL Jia, W Wang, K Fan - The Journal of Physical …, 2002 - ACS Publications
The structural and energetic properties of O/Ag (100) surface have been investigated using
density functional theory (DFT) in conjunction with the plane wave basis sets. The periodic …

Theoretical study of the adsorption of the atomic oxygen on the Cu (110) surface

F Frechard, RA Van Santen - Surface science, 1998 - Elsevier
The adsorption of oxygen atoms on different sites of the unreconstructed Cu (110) surface is
explored for full and half coverage, and the most stable sites are compared with the (2× 1) …