Understanding the structural transformation, stability of medium-sized neutral and charged silicon clusters

LP Ding, FH Zhang, YS Zhu, C Lu, XY Kuang, J Lv… - Scientific reports, 2015 - nature.com
The structural and electronic properties for the global minimum structures of medium-sized
neutral, anionic and cationic Si n μ (n= 20–30, μ= 0,− 1 and+ 1) clusters have been studied …

Structures of silicon cluster cations in the gas phase

JT Lyon, P Gruene, A Fielicke, G Meijer… - Journal of the …, 2009 - ACS Publications
We present gas-phase infrared spectra for small silicon cluster cations possessing between
6 and 21 atoms. Infrared multiple photon dissociation (IR-MPD) of these clusters complexed …

Does the 18-Electron Rule Apply to CrSi12?

MB Abreu, AC Reber, SN Khanna - The Journal of Physical …, 2014 - ACS Publications
Understanding the bonding between silicon and transition metals is valuable for devising
strategies for incorporating magnetic species into silicon. CrSi12 is the standard example of …

Disparate effects of Cu and V on structures of exohedral transition metal-doped silicon clusters: a combined far-infrared spectroscopic and computational study

VT Ngan, P Gruene, P Claes, E Janssens… - Journal of the …, 2010 - ACS Publications
The growth mechanisms of small cationic silicon clusters containing up to 11 Si atoms,
exohedrally doped by V and Cu atoms, are described. We find that as dopants, V and Cu …

Simultaneous interfacial misfit array formation and antiphase domain suppression on miscut silicon substrate

SH Huang, G Balakrishnan, A Khoshakhlagh… - Applied Physics …, 2008 - pubs.aip.org
The authors describe simultaneous interfacial misfit (IMF) array formation along with
antiphase domain (APD) suppression in highly mismatched (Δ a 0/a 0= 13%) AlSb grown on …

Structure determination of small vanadium clusters by density-functional theory in comparison with experimental far-infrared spectra

C Ratsch, A Fielicke, A Kirilyuk, J Behler… - The Journal of …, 2005 - pubs.aip.org
The far-infrared vibrational spectra for charged vanadium clusters with sizes of 3–15 atoms
have been measured using infrared multiple photon dissociation of V n+ Ar→ V n++ Ar⁠ …

No quenching of magnetic moment for the GenCo (n= 1–13) clusters: First-principles calculations

Q **g, F Tian, Y Wang - The Journal of Chemical Physics, 2008 - pubs.aip.org
The authors predict that for the Ge n Co (n= 1–13) clusters the magnetic moment does not
quench, which is dark contrast to the previous results with transition-metal-doped Si n …

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 …

Systematic search for isomerization pathways of hexasilabenzene for finding its kinetic stability

M Moteki, S Maeda, K Ohno - Organometallics, 2009 - ACS Publications
Isomerization pathways of hexasilabenzene (Si6H6) were theoretically searched by using
the anharmonic-downward-distortion-following (ADD-following) method, which is a recently …

[PDF][PDF] Tuning the geometric structure by do** silicon clusters

P Gruene, A Fielicke, G Meijer, E Janssens… - …, 2008 - cloud.fhi-berlin.mpg.de
Ever since the discovery of C60, much effort has been expended in search of similar, finite-
size stable clusters as building blocks for nanostructures.[1] Apart from carbon, silicon has …