Structure and surface chemistry of gold-based model catalysts

J Gong - Chemical reviews, 2012 - ACS Publications
Gold ([Xe] 4f 14 5d 10 6s 1) is one of the most ancient themes of investigation in science and
arts, and its renaissance now leads to an exponentially increasing number of publications …

Adsorption structures and energetics of molecules on metal surfaces: Bridging experiment and theory

RJ Maurer, VG Ruiz, J Camarillo-Cisneros… - Progress in Surface …, 2016 - Elsevier
Adsorption geometry and stability of organic molecules on surfaces are key parameters that
determine the observable properties and functions of hybrid inorganic/organic systems …

Adsorption of small aromatic molecules on the (111) surfaces of noble metals: A density functional theory study with semiempirical corrections for dispersion effects

K Tonigold, A Groß - The Journal of chemical physics, 2010 - pubs.aip.org
The adsorption of benzene, thiophene, and pyridine on the (111) surface of gold and copper
have been studied using density functional theory (DFT). Adsorption geometries and …

Surface structure determination using x-ray standing waves

DP Woodruff - Reports on Progress in Physics, 2005 - iopscience.iop.org
The technique of x-ray standing waves as a means of structure determination is reviewed
with special emphasis on its application to the investigation of adsorbed atoms and …

Chemistry of sulfur-containing molecules on Au (111): thiophene, sulfur dioxide, and methanethiol adsorption

G Liu, JA Rodriguez, J Dvorak, J Hrbek, T Jirsak - Surface Science, 2002 - Elsevier
The interactions of three sulfur-containing molecules (C4H4S, SO2, CH3SH) with a clean Au
(111) surface have been studied with a combination of thermal desorption spectroscopy …

Surface adsorption from the exchange-hole dipole moment dispersion model

MS Christian, A Otero-de-la-Roza… - Journal of Chemical …, 2016 - ACS Publications
The accurate calculation of intermolecular interaction energies with density functional theory
requires methods that include a treatment of long-range, nonlocal dispersion correlation. In …

On‐Surface Synthesis of Unsaturated Hydrocarbon Chains through C− S Activation

L Giovanelli, R Pawlak, F Hussein… - … A European Journal, 2022 - Wiley Online Library
We use an on‐surface synthesis approach to drive the homocoupling reaction of a simple
dithiophenyl‐functionalized precursor on Cu (111). The C− S activation reaction is initiated …

Desulfurization of SO2 and Thiophene on Surfaces and Nanoparticles of Molybdenum Carbide:  Unexpected Ligand and Steric Effects

P Liu, JA Rodriguez, JT Muckerman - The Journal of Physical …, 2004 - ACS Publications
The destruction of S-containing molecules is a very important issue in the chemical industry
and the control of environmental pollution. The desulfurization of sulfur dioxide and …

Thiophene derivatives on gold and molecular dissociation processes

T Jiang, W Malone, Y Tong, D Dragoe… - The Journal of …, 2017 - ACS Publications
We report a systematic study of thiophene derivatives on gold surfaces. These molecules
are of interest in molecular electronics, and the characracteristics of the thiophene–electrode …

Screening of active metals for reactive adsorption desulfurization adsorbent using density functional theory

L Wang, L Zhao, C Xu, Y Wang, J Gao - Applied Surface Science, 2017 - Elsevier
To explore characteristics of active metals for reactive adsorption desulfurization (RADS)
technology, the adsorption of thiophene on M (100)(M= Cr, Mo, Co, Ni, Cu, Au, and Ag) …