相关论文: Ag-Cu alloy surfaces in an oxidizing environment: …
Surface oxidation processes are crucial for the functionality of Cu-based catalytic systems used for methanol synthesis, partial oxidation of methanol or the water-gas shift reaction. We assess the stability and population of the…
In the present paper, the analysis of polishing, grinding and sand-blasting processes on oxidation behavior of nickel, copper and nickel-copper alloy has been investigated. Surface roughness has been measured using two methods: by contact…
We use density functional theory calculations to characterize the early stages of fluorination of silver's (100) and (110) surfaces. In the Ag(100) surface, the hollow site is the most favorable for F adatoms. In the Ag(110) surface, three…
Chemical modifications such as intercalation can be used to modify surface properties or to further functionalize the surface states of topological insulators. Using ambient pressure X-ray photoelectron spectroscopy, we report copper…
We study spacing selection in directional solidification of Al-Cu alloys under transient growth conditions. New experimental results are presented which reveal that dendritic spacing versus solidification rate evolves in an almost step-wise…
The photo-induced desorption and oxidation of CO on Ru(0001) is simulated using ab initio molecular dynamics with electronic friction that accounts for the non-equilibrated excited electrons and phonons. Different (O,CO) coverages are…
Our ab initio calculations of CO adsorption on several low and high miller index surfaces of Cu show that the adsorption energy increases as the coordination of the adsorption site decreases from 11 to 6, in qualitative agreement with…
Cuprous (I) oxide (Cu_{2}O) based solar cells were fabricated with the use of the electrodeposition technique at nanometre scale, and the structural, morphological and electrical properties were investigated. The Cu_{2}O layers were…
Four cluster models for a copper(I)oxide (111) surface have been designed, of which three were studied with respect to their applicability in density functional calculations in the general gradient approximation. Formic acid adsorption on…
Using a combination of scanning tunneling spectroscopy and atomic lateral manipulation, we obtained a systematic variation of the Kondo temperature ($T_\mathrm K$) of Co atoms on Ag(111) as a function of the surface state contribution to…
The Kondo temperature $T_K$ of single Co adatoms on monolayers of Ag on Cu and Au(111) is determined using Scanning Tunneling Spectroscopy. $T_K$ of Co on a single monolayer of Ag on either substrate is essentially the same as that of Co on…
The possible formation of oxides or thin oxide films (surface oxides) on late transition metal surfaces is recently being recognized as an essential ingredient when aiming to understand catalytic oxidation reactions under technologically…
Increasing demand of ethylene oxide and the cost of versatile chemical ethene has been a driving force for understanding mechanism of epoxidation to develop highly selective catalytic process. Direct epoxidation is a proposed mechanism…
We employ first-principles density functional theory (DFT) calculations to investigate the structural, electronic, and catalytic properties of biphenylene supported on various metal substrates. The substrates considered are the (111)…
Glucose oxidation is a key reaction in biosensing and energy conversion, with anodized copper electrodes showing great potential as catalysts for its enhancement. This study explores the relationship between anodization parameters and…
12\% (wt.) silver containing catalysts were prepared by aqueous ion-exchange of Ag$^+$ against Na$^+$ in NaA zeolite. Hydrogen reduction leads to the formation of silver clusters. The results of X-ray absorption spectroscopy experiments at…
The adsorption of atomic oxygen and its inclusion into subsurface sites on Ag(210) and Ag(410) surfaces have been investigated using density functional theory. We find that--in the absence of adatoms on the first metal layer--subsurface…
We report a first principles theoretical study of the surface relaxation and lattice dynamics of the Cu(211) surface using the plane wave pseudopotential method. We find large atomic relaxations for the first several atomic layers near the…
We present the first resonant x-ray reflectivity measurements from a liquid surface. The surface structure of the liquid Hg-Au alloy system just beyond the solubility limit of 0.14at% Au in Hg had previously been shown to exhibit a unique…
We report results of density-functional theory calculations on the structural, magnetic, and electronic properties of (1x1)-structures of Co on Cu(001) for coverages up to two monolayers. In particular we discuss the tendency towards phase…