Geometric Structures and Electronic Properties of AlnV0/– (n = 5–14) Clusters: Photoelectron Spectroscopy and Theoretical Calculations

2018 ◽  
Vol 123 (3) ◽  
pp. 1931-1938 ◽  
Author(s):  
Xinxin Xia ◽  
Zeng-Guang Zhang ◽  
Hong-Guang Xu ◽  
Xiling Xu ◽  
Xiaoyu Kuang ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Photoelectron Spectroscopy ◽  
Theoretical Calculations ◽  
Geometric Structures

Dynamical fluxionality, multiplicity of structural forms, and electronic properties of the B3Si11 cluster: anion photoelectron spectroscopy and theoretical calculations

2019 ◽  
Vol 21 (23) ◽  
pp. 12241-12249 ◽  
Author(s):  
Sheng-Jie Lu ◽  
Li-Shun Wu ◽  
Bao-Hua Yin ◽  
Feng Lin ◽  
Ming-Yong Chao
Keyword(s):  
Electronic Properties ◽  
Photoelectron Spectroscopy ◽  
Sandwich Structure ◽  
Theoretical Calculations ◽  
Cluster Anion ◽  
Membered Ring ◽  
Pentagonal Bipyramid ◽  
Anion Photoelectron Spectroscopy

B3Si11− is formed by the fusion of a B3Si7 bicapped tetragonal antiprism to a B3Si4 pentagonal bipyramid by sharing a B3 triangle, while neutral B3Si11 has a B3-endohedral sandwich structure composed of a Si5 five-membered ring and a Si6 six-membered ring.

Structures and electronic properties of B2Si6−/0/+: anion photoelectron spectroscopy and theoretical calculations

RSC Advances ◽  
2016 ◽  
Vol 6 (67) ◽  
pp. 62165-62171 ◽  
Author(s):  
Guo-Jin Cao ◽  
Sheng-Jie Lu ◽  
Hong-Guang Xu ◽  
Xi-Ling Xu ◽  
Wei-Jun Zheng
Keyword(s):  
Electronic Properties ◽  
Silicon Atom ◽  
Chemical Bonding ◽  
Photoelectron Spectroscopy ◽  
Theoretical Calculations ◽  
Anion Photoelectron Spectroscopy

The lowest-energy structures of B2Si6q(q= −1, 0, +1) clusters are a peculiar structure with a silicon atom hanging over a distorted bowl-like B2Si5framework. It is characterized with σ or π delocalization in chemical bonding.

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

2019 ◽  
Vol 21 (11) ◽  
pp. 6207-6215 ◽  
Author(s):  
Bin Yang ◽  
Xi-Ling Xu ◽  
Hong-Guang Xu ◽  
Umar Farooq ◽  
Wei-Jun Zheng
Keyword(s):  
Quantum Chemistry ◽  
Electronic Properties ◽  
Photoelectron Spectroscopy ◽  
Theoretical Calculations ◽  
Structural Evolution ◽  
Experimental Measurements ◽  
Quantum Chemistry Calculations ◽  
Vertical Detachment Energy ◽  
Anion Photoelectron Spectroscopy

Experimental measurements and theoretical calculations show that CoSi10− has the highest vertical detachment energy among all the CoSin− (n = 3–12) clusters, implying CoSi10− has special stability.

Mixed Metal Oxide Interfaces: An Experimental and Theoretical Assessment of Secondary Metal Influences in Metal Impregnated Aluminas

1994 ◽  
Vol 368 ◽  
Author(s):  
M. Malaty ◽  
D. Singh ◽  
R. Schaeffer ◽  
S. Jansen ◽  
S. Lawrence
Keyword(s):  
Photoelectron Spectroscopy ◽  
Theoretical Calculations ◽  
Mixed Metal Oxide ◽  
X Ray Diffraction ◽  
Paramagnetic Resonance ◽  
X Ray ◽  
Mixed Metal ◽  
Metal Interactions ◽  
Metal Metal ◽  
Bimetallic System

ABSTRACTStudies of the mixed-metal interface in metal impregnated alumina have indicated the possibility of much metal-metal and metal-substrate interaction. Studies were carried out on NiCu/Al2O3 system which was evaluated to develop a better understanding of the forces that drive modification of the catalytic selectivity of Ni in the presence of Cu. Electron Paramagnetic Resonance (EPR), Powder X-ray Photoelectron Spectroscopy (XPS), X-ray Diffraction (XRD) and theoretical calculations were carried out on this bimetallic system, using Ni,Ag/Al2O3 as a reference as Ni shows negligible electron perturbation on co-adsorbance with Ag onto alumina. XRD results indicate that gross modification of the electronic fields of Ni and Cu are due to direct coupling and intercalation into the alumina matrix. As a result of this phenomena, these materials may form a good base for the development of novel ceramics based on mixed-metal interactions where the intermetallic perturbations are driven by the substrate effects.

scholarly journals Magnetic and Electronic Properties of Weyl Semimetal Co2MnGa Thin Films

Nanomaterials ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 251
Author(s):  
Peter Swekis ◽  
Aleksandr S. Sukhanov ◽  
Yi-Cheng Chen ◽  
Andrei Gloskovskii ◽  
Gerhard H. Fecher ◽  
...  
Keyword(s):  
Thin Films ◽  
Magnetic Properties ◽  
Electronic Properties ◽  
Photoelectron Spectroscopy ◽  
Magnetic Moments ◽  
Field Orientation ◽  
Weyl Semimetal ◽  
Uniform Magnetization ◽  
Experimental Findings ◽  
High Degree

Magnetic Weyl semimetals are newly discovered quantum materials with the potential for use in spintronic applications. Of particular interest is the cubic Heusler compound Co2MnGa due to its inherent magnetic and topological properties. This work presents the structural, magnetic and electronic properties of magnetron co-sputtered Co2MnGa thin films, with thicknesses ranging from 10 to 80 nm. Polarized neutron reflectometry confirmed a uniform magnetization through the films. Hard x-ray photoelectron spectroscopy revealed a high degree of spin polarization and localized (itinerant) character of the Mn d (Co d) valence electrons and accompanying magnetic moments. Further, broadband and field orientation-dependent ferromagnetic resonance measurements indicated a relation between the thickness-dependent structural and magnetic properties. The increase of the tensile strain-induced tetragonal distortion in the thinner films was reflected in an increase of the cubic anisotropy term and a decrease of the perpendicular uniaxial term. The lattice distortion led to a reduction of the Gilbert damping parameter and the thickness-dependent film quality affected the inhomogeneous linewidth broadening. These experimental findings will enrich the understanding of the electronic and magnetic properties of magnetic Weyl semimetal thin films.

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