Adsorption of multivalent alkylthiols on Au(111) surface: Insights from DFT

Study of Alkylthiolate Self-assembled Monolayers on Au(111) Using a Semilocal meta-GGA Density Functional

(2012) Lara Ferrighi et al.   Journal of Physical Chemistry C

VESTA 3for three-dimensional visualization of crystal, volumetric and morphology data

(2011) Koichi Momma et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Kinetics Study of the Binding of Multivalent Ligands on Size-Selected Gold Nanoparticles

(2011) Suguna Perumal et al.   LANGMUIR

A periodic mixed gaussians–plane waves DFT study on simple thiols on Au(111): adsorbate species, surface reconstruction, and thiols functionalization

(2011) Gopalan Rajaraman et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

(2010) Katrin Tonigold et al.   JOURNAL OF CHEMICAL PHYSICS

Thiolate Induced Reconstruction of Au(111) and Cu(111) Investigated by Density Functional Theory Calculations

(2010) Henrik Grönbeck   Journal of Physical Chemistry C

The role of gold adatoms in self-assembled monolayers of thiol on Au(111)

(2009) Edmanuel Torres et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

The Role of Gold Adatoms and Stereochemistry in Self-Assembly of Methylthiolate on Au(111)

(2009) Oleksandr Voznyy et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

c(4 × 2) Structures of Alkanethiol Monolayers on Au (111) Compatible with the Constraint of Dense Packing

(2009) Oleksandr Voznyy et al.   LANGMUIR

Self-assembly of methanethiol on the reconstructed Au(111) surface

(2009) Georgi Nenchev et al.   PHYSICAL REVIEW B

Ab-initiosimulations of materials using VASP: Density-functional theory and beyond

(2008) Jürgen Hafner   JOURNAL OF COMPUTATIONAL CHEMISTRY

Gold−Thiolate Complexes Form a Unique c(4 × 2) Structure on Au(111)

(2008) Henrik Grönbeck et al.   Journal of Physical Chemistry C

Alkanethiol/Au(111) Self-Assembled Monolayers Contain Gold Adatoms: Scanning Tunneling Microscopy before and after Reaction with Atomic Hydrogen

(2008) Natalie A. Kautz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Au Adatoms in Self-Assembly of Benzenethiol on the Au(111) Surface

(2008) Peter Maksymovych et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Adsorption of 4-Mercaptopyridine on Au(111): A Periodic DFT Study

(2008) Jan Kučera et al.   LANGMUIR

Rationally Designed Ligands that Inhibit the Aggregation of Large Gold Nanoparticles in Solution

(2007) Shishan Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY