Structure, thermodynamics, and rearrangement mechanisms in gold clusters—insights from the energy landscapes framework

Stable structures and potential energy surface of the metallic clusters: Ni, Cu, Ag, Au, Pd, and Pt

(2017) Xia Wu et al.   JOURNAL OF NANOPARTICLE RESEARCH

Structure and Thermodynamics of Metal Clusters on Atomically Smooth Substrates

(2017) M. Eckhoff et al.   Journal of Physical Chemistry Letters

Beyond Magic Numbers: Atomic Scale Equilibrium Nanoparticle Shapes for Any Size

(2017) J. Magnus Rahm et al.   NANO LETTERS

Nanoscale Effects on Phase Separation

(2017) Juan-Pedro Palomares-Baez et al.   NANO LETTERS

The effect of chemical ordering and lattice mismatch on structural transitions in phase segregating nanoalloys

(2017) Kevin Rossi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Global optimization of neutral and charged 20- and 55-atom silver and gold clusters at the DFTB level

(2017) Nathalie Tarrat et al.   Computational and Theoretical Chemistry

Hollow Gold Cages and Their Topological Relationship to Dual Fullerenes

(2016) Lukas Trombach et al.   CHEMISTRY-A EUROPEAN JOURNAL

Theoretical Study of the Structural, Energetic, and Electronic Properties of 55-Atom Metal Nanoclusters: A DFT Investigation within van der Waals Corrections, Spin–Orbit Coupling, and PBE+U of 42 Metal Systems

(2016) Maurício J. Piotrowski et al.   Journal of Physical Chemistry C

Impurity effects on solid–solid transitions in atomic clusters

(2016) B. E. Husic et al.   Nanoscale

Doped golden fullerene cages

(2015) Francesca Baletto et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Quasi-combinatorial energy landscapes for nanoalloy structure optimisation

(2015) D. Schebarchov et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Morphology transition mechanism from icosahedral to decahedral phase during growth of Cu nanoclusters

(2015) Alexey A. Tal et al.   PHYSICAL REVIEW B

Quantum Size Effects in the Size-Temperature Phase Diagram of Gallium: Structural Characterization of Shape-Shifting Clusters

(2014) Krista G. Steenbergen et al.   CHEMISTRY-A EUROPEAN JOURNAL

Approximate treatment of semicore states in GW calculations with application to Au clusters

(2014) Jiawei Xian et al.   JOURNAL OF CHEMICAL PHYSICS

Experimental Evidence for Fluctuating, Chiral-Type Au55 Clusters by Direct Atomic Imaging

(2012) Z.W. Wang et al.   NANO LETTERS

Investigating Active Site of Gold Nanoparticle Au55(PPh3)12Cl6 in Selective Oxidation

(2010) Yong Pei et al.   ACS Nano

Nanogold: A Quantitative Phase Map

(2009) Amanda S. Barnard et al.   ACS Nano

Refined kinetic transition networks for the GB1 hairpin peptide

(2009) Joanne M. Carr et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structure of large gold clusters obtained by global optimization using the minima hopping method

(2009) Kuo Bao et al.   PHYSICAL REVIEW B

Relativistic Effects and the Unique Low-Symmetry Structures of Gold Nanoclusters

(2008) Wei Huang et al.   ACS Nano

The relevance of shape and size of Au55 clusters

(2008) Günter Schmid   CHEMICAL SOCIETY REVIEWS

Selective oxidation with dioxygen by gold nanoparticle catalysts derived from 55-atom clusters

(2008) Mark Turner et al.   NATURE

A unified view of ligand-protected gold clusters as superatom complexes

(2008) M. Walter et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA