Anionic Copper Clusters Reacting with NO: An Open-Shell Superatom Cu18

B Yin, Q Du, L Geng, H Zhang, Z Luo… - The Journal of …, 2020 - ACS Publications
Gas-phase metal clusters have been a subject of research interest for allowing reliable
strategies to explore the stability and reactivity of materials at reduced sizes with atomic …

Structure and formation of copper cluster ions in multiply charged He nanodroplets

OV Lushchikova, M Gatchell, J Reichegger… - Physical Chemistry …, 2023 - pubs.rsc.org
The structure of cationic and anionic Cu clusters grown in multiply charged superfluid He
nanodroplets was investigated using He tagging as a chemical probe. Further, the structure …

Structures of Cun+ (n = 3–10) Clusters Obtained by Infrared Action Spectroscopy

OV Lushchikova, DMM Huitema… - The Journal of …, 2019 - ACS Publications
Coinage metal clusters are of great importance for a wide range of scientific fields, ranging
from microscopy to catalysis. Despite their clear fundamental and technological importance …

Structural evolution and electronic properties of Cu-Zn alloy clusters

Q Liu, L Cheng - Journal of Alloys and Compounds, 2019 - Elsevier
Abstract Brass (Cu-Zn) is one of the typical Hume-Rothery alloys, which is extensively used
in material science and industry. Earlier studies revealed that the structures of Cu-Zn alloys …

DFT-based global optimization of sub-nanometer Ni–Pd clusters

A Granja-DelRío, HA Abdulhussein… - The Journal of Physical …, 2019 - ACS Publications
The Mexican enhanced genetic algorithm has been used to study the structural and
energetic properties of Pd, Ni, and Ni–Pd nanocluster structures with 3–10 atoms. Density …

Copper inter-nanoclusters distance-modulated chromism of self-assembly induced emission

L Ai, Z Liu, D Zhou, J Liu, H Zou, Z Wu, Y Liu, H Zhang… - Nanoscale, 2017 - pubs.rsc.org
Metal nanoclusters (NCs) have attracted broad attention for their molecular-like electronic
structures and unique emission properties, but the difficulty in controlling emission color …

Carbon vacancy-assisted stabilization of individual Cu 5 clusters on graphene. Insights from ab initio molecular dynamics

LL Carroll, LV Moskaleva… - Physical Chemistry …, 2023 - pubs.rsc.org
Recent advances in synthesis and characterization methods have enabled the controllable
fabrication of atomically precise metal clusters (AMCs) of subnanometer size that possess …

High‐level ab initio evidence of bipyramidal Cu5 clusters as fluxional Jahn‐Teller molecules

AO Mitrushchenkov… - ChemPhysChem, 2023 - Wiley Online Library
Novel highly selective synthesis techniques have enable the production of atomically
precise monodisperse metal clusters (AMCs) of subnanometer size. These AMCs exhibit …

First-principles absorption spectra of Cu () clusters

K Baishya, JC Idrobo, S Öğüt, M Yang, KA Jackson… - Physical Review B …, 2011 - APS
Optical absorption spectra for the computed ground state structures of copper clusters (Cu n,
n= 2–20) are investigated from first principles using time-dependent density functional …

Structure and stability of Mo-doped Cun (n= 1–12) clusters: DFT calculations

PL Rodríguez-Kessler, A Muñoz-Castro - Inorganica Chimica Acta, 2023 - Elsevier
The thermodynamic and chemical stability of Cu n Mo (n= 1–12) clusters are evaluated by
density functional theory (DFT) calculations. The most stable structures are obtained by …