Endohedrally doped cage clusters

J Zhao, Q Du, S Zhou, V Kumar - Chemical Reviews, 2020 - ACS Publications
The discovery of carbon fullerene cages and their solids opened a new avenue to build
materials from stable cage clusters as “artificial atoms” or “superatoms” instead of atoms …

Recent progress in theoretical and experimental studies of metal-doped silicon clusters: Trend among elements of periodic table

U Farooq, S Naz, HG Xu, B Yang, XL Xu… - Coordination Chemistry …, 2020 - Elsevier
Metal doped silicon clusters with potential applications in the field of optoelectronics,
magnetic and nanomaterials have been extensively studied during last decade. Here in, a …

Fullerene-like boron clusters stabilized by an endohedrally doped iron atom: B n Fe with n= 14, 16, 18 and 20

N MinháTam, H TanáPham, L VanáDuong… - Physical Chemistry …, 2015 - pubs.rsc.org
Stabilized fullerene and tubular forms can be produced in boron clusters Bn in small sizes
from n∼ 14 to 20 upon doping by transition metal atoms. B14Fe and B16Fe are stable tubes …

Structural and Magnetic Properties of CoGen (n=2–11) Clusters: Photoelectron Spectroscopy and Density Functional Calculations

XJ Deng, XY Kong, XL Xu, HG Xu… - ChemPhysChem, 2014 - Wiley Online Library
A series of cobalt‐doped germanium clusters, CoGen−/0 (n= 2–11), are investigated by
using anion photoelectron spectroscopy combined with density functional theory …

Study of electronic properties, stabilities and magnetic quenching of molybdenum-doped germanium clusters: a density functional investigation

R Trivedi, K Dhaka, D Bandyopadhyay - RSC advances, 2014 - pubs.rsc.org
Evolution of electronic structures, properties and stabilities of neutral and cationic
molybdenum encapsulated germanium clusters (Mo@ Gen, n= 1 to 20) has been …

Making Sense of the Growth Behavior of Ultra-High Magnetic Gd2-Doped Silicon Clusters

B Xie, HQ Wang, HF Li, JM Zhang, JK Zeng, XJ Mei… - Molecules, 2023 - mdpi.com
The growth behavior, stability, electronic and magnetic properties of the Gd2Sin−(n= 3–12)
clusters are reported, which are investigated using density functional theory calculations …

Structural determination of niobium-doped silicon clusters by far-infrared spectroscopy and theory

X Li, P Claes, M Haertelt, P Lievens… - Physical Chemistry …, 2016 - pubs.rsc.org
In this work, the structures of cationic SinNb+ (n= 4–12) clusters are determined using the
combination of infrared multiple photon dissociation (IR-MPD) and density functional theory …

Structural evolution and electronic properties of CoSi n−(n= 3–12) clusters: Mass-selected anion photoelectron spectroscopy and quantum chemistry calculations

B Yang, XL Xu, HG Xu, U Farooq… - Physical Chemistry …, 2019 - pubs.rsc.org
The structural and electronic properties of cobalt-doped silicon clusters, CoSin−(n= 3–12),
are investigated using mass-selected anion photoelectron spectroscopy combined with …

Infrared Spectroscopy and Structures of Boron-Doped Silicon Clusters (SinBm, n = 3–8, m = 1–2)

NX Truong, BKA Jaeger, S Gewinner… - The Journal of …, 2017 - ACS Publications
Binary nanoclusters are of great interest for understanding fundamental phenomena related
to applied materials science. Herein, neutral silicon-rich silicon–boron clusters (Si n B m, n …

Hydrogen chemisorption on Pd-doped copper clusters

PL Rodríguez-Kessler, P Alonso-Dávila… - The Journal of …, 2019 - ACS Publications
The structural evolution, electronic, and magnetic properties of Pd-doped Cu n (n= 1–12)
clusters and the dissociative chemisorption of H2 on the lowest energy structures are …