Density functional theory for transition metals and transition metal chemistry
CJ Cramer, DG Truhlar - Physical Chemistry Chemical Physics, 2009 - pubs.rsc.org
We introduce density functional theory and review recent progress in its application to
transition metal chemistry. Topics covered include local, meta, hybrid, hybrid meta, and …
transition metal chemistry. Topics covered include local, meta, hybrid, hybrid meta, and …
Stabilized gold clusters: from isolation toward controlled synthesis
Bare metal clusters with fewer than∼ 100 atoms exhibit intrinsically unique and size-specific
properties, making them promising functional units or building blocks for novel materials. To …
properties, making them promising functional units or building blocks for novel materials. To …
Photoelectron spectroscopy of size-selected boron clusters: from planar structures to borophenes and borospherenes
LS Wang - International Reviews in Physical Chemistry, 2016 - Taylor & Francis
Photoelectron spectroscopy (PES) in combination with computational chemistry has been
used systematically over the past decade to elucidate the structures and chemical bonding …
used systematically over the past decade to elucidate the structures and chemical bonding …
Coinage metal clusters: From superatom chemistry to genetic materials
B Yin, Z Luo - Coordination Chemistry Reviews, 2021 - Elsevier
Building metal materials with well-defined components and the monomer-genetic property is
one of the foremost challenges in chemistry and materials science. In recent years, metal …
one of the foremost challenges in chemistry and materials science. In recent years, metal …
Catalytic Activities of Subnanometer Gold Clusters (Au16–Au18, Au20, and Au27–Au35) for CO Oxidation
Using the CO oxidation as a chemical probe, we perform a comprehensive ab initio study of
catalytic activities of subnanometer gold clusters. Particular attention is placed on 12 …
catalytic activities of subnanometer gold clusters. Particular attention is placed on 12 …
The tetrahedral structure and luminescence properties of Bi-metallic Pt 1 Ag 28 (SR) 18 (PPh 3) 4 nanocluster
The atomic-structure characterization of alloy nanoclusters (NCs) remains challenging but is
crucial in order to understand the synergism and develop new applications based upon the …
crucial in order to understand the synergism and develop new applications based upon the …
Unraveling the Mechanisms of O2 Activation by Size-Selected Gold Clusters: Transition from Superoxo to Peroxo Chemisorption
The activation of dioxygen is a key step in CO oxidation catalyzed by gold nanoparticles. It is
known that small gold cluster anions with even-numbered atoms can molecularly chemisorb …
known that small gold cluster anions with even-numbered atoms can molecularly chemisorb …
Toward Solution Syntheses of the Tetrahedral Au20 Pyramid and Atomically Precise Gold Nanoclusters with Uncoordinated Sites
Conspectus A long-standing objective of cluster science is to discover highly stable clusters
and to use them as models for catalysts and building blocks for cluster-assembled materials …
and to use them as models for catalysts and building blocks for cluster-assembled materials …
Magic-number gold nanoclusters with diameters from 1 to 3.5 nm: Relative stability and catalytic activity for CO oxidation
Relative stability of geometric magic-number gold nanoclusters with high point-group
symmetry (I h, D 5 h, O h) and size up to 3.5 nm, as well as structures obtained by global …
symmetry (I h, D 5 h, O h) and size up to 3.5 nm, as well as structures obtained by global …
CO Oxidation on TiO2 (110) Supported Subnanometer Gold Clusters: Size and Shape Effects
We performed a comprehensive study of catalytic activities of subnanometer Au clusters
supported on TiO2 (110) surface (Au n/TiO2, n= 1–4, 7, 16–20) by means of density …
supported on TiO2 (110) surface (Au n/TiO2, n= 1–4, 7, 16–20) by means of density …