A Cu25 Nanocluster with Partial Cu(0) Character
Atomically precise copper nanoclusters (NCs) are of immense interest for a variety of
applications, but have remained elusive. Herein, we report the isolation of a copper …
applications, but have remained elusive. Herein, we report the isolation of a copper …
Evolution of the structural, energetic, and electronic properties of the 3d, 4d, and 5d transition-metal clusters (30 TM n systems for n= 2–15): a density functional theory …
Subnanometric transition-metal (TM) clusters have attracted great attention due to their
unexpected physical and chemical properties, leastwise compared to their bulk …
unexpected physical and chemical properties, leastwise compared to their bulk …
Evidence of hollow golden cages
The fullerenes are the first “free-standing” elemental hollow cages identified by spectroscopy
experiments and synthesized in the bulk. Here, we report experimental and theoretical …
experiments and synthesized in the bulk. Here, we report experimental and theoretical …
The Role of Charge States in the Atomic Structure of Cun and Ptn (n = 2–14 atoms) Clusters: A DFT Investigation
In general, because of the high computational demand, most theoretical studies addressing
cationic and anionic clusters assume structural relaxation from the ground state neutral …
cationic and anionic clusters assume structural relaxation from the ground state neutral …
Structures and relative stability of neutral gold clusters: Aun (n= 15–19)
We performed a global-minimum search for low-lying neutral clusters (Au n) in the size
range of n= 15–19 by means of basin-hopping method coupled with density functional …
range of n= 15–19 by means of basin-hopping method coupled with density functional …
Structural and electrocatalytic properties of copper clusters: A study via deep learning and first principles
Determining the atomic structure of clusters has been a long-term challenge in theoretical
calculations due to the high computational cost of density-functional theory (DFT). Deep …
calculations due to the high computational cost of density-functional theory (DFT). Deep …
Structure and structural evolution of Agn (n= 3–22) clusters using a genetic algorithm and density functional theory method
D Tian, H Zhang, J Zhao - Solid State Communications, 2007 - Elsevier
Using a genetic algorithm followed by local optimization with density functional theory, the
lowest-energy structures of Agn clusters in a size range of n= 3–22 were studied. The Agn …
lowest-energy structures of Agn clusters in a size range of n= 3–22 were studied. The Agn …
Comprehensive study of sodium, copper, and silver clusters over a wide range of sizes 2≤ N≤ 75
M Itoh, V Kumar, T Adschiri, Y Kawazoe - The Journal of chemical …, 2009 - pubs.aip.org
The geometric and electronic structures of Na N, Cu N, and Ag N metal clusters are
systematically studied based on the density functional theory over a wide range of cluster …
systematically studied based on the density functional theory over a wide range of cluster …
Cu Sub-Nanoparticles on Cu/CeO2 as an Effective Catalyst for Methanol Synthesis from Organic Carbonate by Hydrogenation
M Tamura, T Kitanaka, Y Nakagawa, K Tomishige - ACS Catalysis, 2016 - ACS Publications
Cu/CeO2 works as an effective heterogeneous catalyst for hydrogenation of dimethyl
carbonate to methanol at 433 K and even at low H2 pressure of 2.5 MPa, and it provided …
carbonate to methanol at 433 K and even at low H2 pressure of 2.5 MPa, and it provided …
Optical absorption of small copper clusters in neon: Cun,(n= 1–9)
S Lecoultre, A Rydlo, C Félix, J Buttet, S Gilb… - The Journal of …, 2011 - pubs.aip.org
We present optical absorption spectra in the UV-visible range (1.6 eV< ℏω< 5.5 eV) of mass
selected neutral copper clusters Cu n (n= 1–9) embedded in a solid neon matrix at 7 K. The …
selected neutral copper clusters Cu n (n= 1–9) embedded in a solid neon matrix at 7 K. The …