Vibrational properties of thiolate-protected gold nanoclusters
Conspectus Over recent years, the field of thiolate-protected gold nanoclusters has made
remarkable progress. The successful determination of the structure of some of these clusters …
remarkable progress. The successful determination of the structure of some of these clusters …
Hierarchy of bond stiffnesses within icosahedral-based gold clusters protected by thiolates
S Yamazoe, S Takano, W Kurashige… - Nature …, 2016 - nature.com
Unique thermal properties of metal clusters are believed to originate from the hierarchy of
the bonding. However, an atomic-level understanding of how the bond stiffnesses are …
the bonding. However, an atomic-level understanding of how the bond stiffnesses are …
Mechanical vibrations of atomically defined metal clusters: from nano-to molecular-size oscillators
Acoustic vibrations of small nanoparticles are still ruled by continuum mechanics laws down
to diameters of a few nanometers. The elastic behavior at lower sizes (< 1–2 nm), where …
to diameters of a few nanometers. The elastic behavior at lower sizes (< 1–2 nm), where …
Structural Rearrangement of Au–Pd Nanoparticles under Reaction Conditions: An ab Initio Molecular Dynamics Study
The structure, composition, and atomic distribution of nanoalloys under operating conditions
are of significant importance for their catalytic activity. In the present work, we use ab initio …
are of significant importance for their catalytic activity. In the present work, we use ab initio …
Connecting vibrational spectroscopy to atomic structure via supervised manifold learning: Beyond peak analysis
Vibrational spectroscopy is a nondestructive technique commonly used in chemical and
physical analyses to determine atomic structures and associated properties. However, the …
physical analyses to determine atomic structures and associated properties. However, the …
Structural determination of metal nanoparticles from their vibrational (phonon) density of states
The vibrational (phonon) density of states of metal nanoparticles with size between 2 and 6
nm can be measured using nuclear resonant inelastic X-ray or plasmon resonance Raman …
nm can be measured using nuclear resonant inelastic X-ray or plasmon resonance Raman …
Raman Spectroscopic Fingerprints of Atomically Precise Ligand Protected Noble Metal Clusters: Au38(PET)24 and Au38−xAgx(PET)24
Distinct Raman spectroscopic signatures of the metal core of atomically precise, ligand‐
protected noble metal nanoclusters are reported using Au38 (PET) 24 and Au38− xAgx …
protected noble metal nanoclusters are reported using Au38 (PET) 24 and Au38− xAgx …
Vibrational density of states and thermodynamics at the nanoscale: the 3D-2D transition in gold nanostructures
Surface enhanced Raman scattering (SERS) is generally and widely used to enhance the
vibrational fingerprint of molecules located at the vicinity of noble metal nanoparticles. In this …
vibrational fingerprint of molecules located at the vicinity of noble metal nanoparticles. In this …
Influence of composition and chemical arrangement on the kinetic stability of 147-atom Au–Ag bimetallic nanoclusters
High calcination temperatures are often required in nanoparticle synthesis and an
understanding of how heating affects the structure and chemical arrangement of bimetallic …
understanding of how heating affects the structure and chemical arrangement of bimetallic …
Evaluation of machine learning interatomic potentials for the properties of gold nanoparticles
We have investigated Machine Learning Interatomic Potentials in application to the
properties of gold nanoparticles through the DeePMD package, using data generated with …
properties of gold nanoparticles through the DeePMD package, using data generated with …