High-throughput dataset of impurity adsorption on common catalysts in biomass upgrading applications

MA Nolen, SA Tacey, MA Arellano-Treviño… - Scientific Data, 2024 - nature.com
An extensive dataset consisting of adsorption energies of pernicious impurities present in
biomass upgrading processes on common catalysts and support materials has been …

Reaction processes at step edges on S-decorated Cu (111) and Ag (111) surfaces: MD analysis utilizing machine learning derived potentials

DJ Liu, JW Evans - The Journal of Chemical Physics, 2022 - pubs.aip.org
A variety of complexation, reconstruction, and sulfide formation processes can occur at step
edges on the {111} surfaces of coinage metals (M) in the presence of adsorbed S under ultra …

Formation and coarsening of epitaxially-supported metal nanoclusters

Y Han, DJ Liu, KC Lai, PA Thiel, JW Evans - Surface Science, 2025 - Elsevier
This mini-review describes developments over the last∼ 30 years in characterizing the
nucleation & growth of epitaxially-supported metal nanoclusters (NCs) or islands during …

Sulfur adsorption on coinage metal (100) surfaces: propensity for metal–sulfur complex formation relative to (111) surfaces

DJ Liu, PM Spurgeon, J Lee, TL Windus… - Physical Chemistry …, 2019 - pubs.rsc.org
Experimental data from low-temperature Scanning Tunneling Microscopy (LTSTM) studies
on coinage metal surfaces with very low coverages of S is providing new insights into metal …

Enhanced Nanostructure Dynamics on Au (111) with Adsorbed Sulfur due to Au− S Complex Formation

PM Spurgeon, DJ Liu, TL Windus, JW Evans… - …, 2021 - Wiley Online Library
Chemisorbed species can enhance the fluxional dynamics of nanostructured metal surfaces
which has implications for applications such as catalysis. Scanning tunneling microscopy …

Sulfur-enhanced dynamics of coinage metal (111) surfaces: Step edges versus terraces as locations for metal-sulfur complex formation

DJ Liu, JW Evans - Journal of Vacuum Science & Technology A, 2022 - pubs.aip.org
The propensity of trace amounts of sulfur adsorbed on coinage metal (111) surfaces to
dramatically enhance surface dynamics has been demonstrated by STM observations of …

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 …

Density Functional Calculations of Self-Diffusion and Au Island Nucleation on Au (001) in the Presence of a Cl Adlayer

A Dávila López - 2020 - macau.uni-kiel.de
Homoepitaxy on metal surfaces at electrochemical environment has been adopted as model
system to investigate the dependence of growth modes on sample potential and metal …

[PDF][PDF] Density Functional Calculations of Self-Diffusion and Au Island Nucleation on Au (001) in the Presence of a Cl Adlayer

ACD López - 2020 - core.ac.uk
Homoepitaxy on metal surfaces at electrochemical environment has been adopted as model
system to investigate the dependence of growth modes on sample potential and metal …

[图书][B] Scanning Tunneling Microscopy Studies of Self-Assembled Monolayers on Au (111)

CF Plummer - 2020 - search.proquest.com
Self-assembled monolayers (SAMs) of alkanethiols on Au (111) have been of great interest
for decades. The formation of thiol-based SAMs on Au (111) has been of particular interest …