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 …

[HTML][HTML] Structural and electronic properties of medium-sized beryllium doped magnesium BeMgn clusters and their anions

Y Zhao, Y Xu, P Chen, Y Yuan, Y Qian, Q Li - Results in physics, 2021 - Elsevier
Bimetallic clusters have attracted much attention because of the structural and property
changes that occur: cluster size and doping. Here, we performed a structural search of the …

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 …

Probing the structural and electronic properties of neutral and anionic lanthanum-doped silicon clusters

YR Zhao, TT Bai, LN Jia, W Xin, YF Hu… - The Journal of …, 2019 - ACS Publications
The TM-doped Si-based semiconductor clusters have aroused increased attention in a lot of
fields. Here, we have performed a structural search of the global minimum for neutral and …

Structural identification of caged vanadium doped silicon clusters

P Claes, E Janssens, VT Ngan, P Gruene, JT Lyon… - Physical Review Letters, 2011 - APS
The geometry of cationic silicon clusters doped with vanadium, Si n V+(n= 12–16), is
investigated by using infrared multiple photon dissociation of the corresponding rare gas …

High Magnetic Moments in Manganese‐Doped Silicon Clusters

VT Ngan, E Janssens, P Claes, JT Lyon… - … A European Journal, 2012 - Wiley Online Library
We report on the structural, electronic, and magnetic properties of manganese‐doped silicon
clusters cations, SinMn+ with n= 6–10, 12–14, and 16, using mass spectrometry and infrared …

Far-IR spectra of small neutral gold clusters in the gas phase

P Gruene, B Butschke, JT Lyon, DM Rayner… - Zeitschrift für …, 2014 - degruyter.com
Vibrational spectra of small neutral gold clusters containing up to 8 Au atoms are measured
in the far-infrared (46–222 cm–1) via photodissociation of their complexes with krypton …

The structural and electronic properties of NbSi n−/0 (n= 3–12) clusters: anion photoelectron spectroscopy and ab initio calculations

SJ Lu, GJ Cao, XL Xu, HG Xu, WJ Zheng - Nanoscale, 2016 - pubs.rsc.org
Niobium-doped silicon clusters, NbSin−(n= 3–12), were generated by laser vaporization and
investigated by anion photoelectron spectroscopy. The structures and electronic properties …

Structural and electronic properties of neutral and anionic magnesium clusters doped with two barium atoms

QY Li, YF Hu, SG Xi, YY Li, H Yang, YQ Yuan… - Journal of Molecular …, 2021 - Elsevier
This paper reports systematic studies of small sized magnesium clusters doped with two
barium atoms in both neutral and anionic species. The search, geometric optimization, and …

Evolution of Vibrational Spectra in the Manganese–Silicon Clusters Mn2Sin, n = 10, 12, and 13, and Cationic [Mn2Si13]+

V Khanna, R Singh, P Claes, MT Nguyen… - The Journal of …, 2022 - ACS Publications
A comparison of DFT-computed and measured infrared spectra reveals the ground state
structures of a series of gas-phase silicon clusters containing a common Mn2 unit. Mn2Si12 …