Adsorption of halogens on metal surfaces

BV Andryushechkin, TV Pavlova, KN Eltsov - Surface Science Reports, 2018 - Elsevier
This paper presents a review of the experimental and theoretical investigations of halogen
interaction with metal surfaces. The emphasis was placed on the recent measurements …

Adsorption of sulfur on Au (111) surface: An extremely stable configuration

P Shao, QL He, H Zhang, CY Wang, YR Zhao - Journal of Molecular …, 2023 - Elsevier
The sulfur adsorption on gold surface is a hot topic in catalysis, electrochemistry and
chemical sensors. However, the multiple structures of adsorbed sulfur and sulfur-induced …

Sulfur atoms adsorbed on Cu (100) at low coverage: Characterization and stability against complexation

H Walen, DJ Liu, J Oh, HJ Yang… - The Journal of …, 2018 - ACS Publications
Using scanning tunneling microscopy, we characterize the size and bias-dependent shape
of sulfur atoms on Cu (100) at low coverage (below 0.1 monolayers) and low temperature …

[HTML][HTML] Oxygen and sulfur adsorption on vicinal surfaces of copper and silver: Preferred adsorption sites

DJ Liu, PA Thiel - The Journal of Chemical Physics, 2018 - pubs.aip.org
We present an extensive density functional theory (DFT) study of adsorption site energetics
for oxygen and sulfur adsorbed on two vicinal surfaces of Cu and Ag, with the goal of …

New aspects of the surface chemistry of sulfur on Au (111): Surface structures formed by gold-sulfur complexes

P Carro, G Andreasen, C Vericat, ME Vela… - Applied Surface …, 2019 - Elsevier
Sulfur adsorption on gold surfaces has been extensively studied because of the key role of
sulfur species in heterogeneous catalysis, and, more recently, due to the interest in the …

[HTML][HTML] Structure of chalcogen overlayers on Au (111): Density functional theory and lattice-gas modeling

DJ Liu, JW Evans, PM Spurgeon… - The Journal of Chemical …, 2020 - pubs.aip.org
Ordering of different chalcogens, S, Se, and Te, on Au (111) exhibit broad similarities but
also some distinct features, which must reflect subtle differences in relative values of the …

Coinage Metal–Sulfur Complexes: Stability on Metal (111) Surfaces and in the Gas Phase

J Lee, TL Windus, PA Thiel, JW Evans… - The Journal of Physical …, 2019 - ACS Publications
We provide a comprehensive theoretical assessment at the level of density functional theory
(DFT) of the stability of various coinage metal–sulfur complexes, both in the gas phase and …

Gold adatoms modulate sulfur adsorption on gold

P Carro, RC Salvarezza - Nanoscale, 2019 - pubs.rsc.org
Sulfur adsorption on Au (111) at high coverage has been studied by density functional
calculations. In this case S species organize into rectangular structures containing 8 S atoms …

Self-assembly of Organic Molecules at Metal Surfaces

G Bracco, M Smerieri, L Savio - Springer Handbook of Surface Science, 2020 - Springer
Adsorption and self-assembly of organic molecules at surfaces is a key issue in
nanoscience and nanotechnology for the many possible uses of hybrid organic–inorganic …

Structural evolution and ligand effects of (Au1L2)n, (Au2L3)n, and (Au3L4)n [n = 1–3, L = SCH3,P(CH3)2,PH2,Cl] clusters

M Ma, L Liu, H Zhu, J Lu, G Tan - Molecular Simulation, 2020 - Taylor & Francis
In this paper, we present a density-functional theory with a particle swarm optimisation
algorithm to research the progress of the ligand effects of the gold (Au) structures and growth …