scholarly journals Indirect bandgap, optoelectronic properties, and photoelectrochemical characteristics of high-purity Ta3N5 photoelectrodes

2021 ◽  
Vol 9 (36) ◽  
pp. 20653-20663
Author(s):  
Johanna Eichhorn ◽  
Simon P. Lechner ◽  
Chang-Ming Jiang ◽  
Giulia Folchi Heunecke ◽  
Frans Munnik ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Electronic Properties ◽  
High Purity ◽  
Optoelectronic Properties ◽  
Precise Control ◽  
Insight Into

The (opto)electronic properties of Ta3N5 photoelectrodes are often dominated by defects, but precise control of these defects provides new insight into the electronic structure, photocarrier transport, and photoelectrochemical function.

scholarly journals Two-dimensional and tubular structures of misfit compounds: Structural and electronic properties

2014 ◽  
Vol 5 ◽  
pp. 2171-2178 ◽  
Author(s):  
Tommy Lorenz ◽  
Jan-Ole Joswig ◽  
Gotthard Seifert
Keyword(s):  
Electronic Structure ◽  
Physical Properties ◽  
Electronic Properties ◽  
Two Dimensional ◽  
Tubular Structures ◽  
Lattice Constants ◽  
Complex Series ◽  
Structural And Electronic Properties ◽  
Interlayer Bonding ◽  
Insight Into

Misfit layer compounds are structures that consist of two sublattices differing in at least one of their lattice constants. The two different layers are stacked either an alternating or in a more complex series resulting in mono- or multi-layer misfit compounds. To date, planar and bent misfit structures, such as tubes, scrolls or nanoparticles, have been synthesized and interesting magnetic and physical properties have been observed as a result of their special structures. Based on these observations, we present an overview of such misfit systems and summarize and discuss their electronic structure as well as the interlayer bonding behaviour, which is not completely understood yet. Furthermore, a more detailed insight into the SnS–SnS2 system is given, which was the first tubular misfit compound that has been synthesized and extensively investigated.

scholarly journals Magnetic and Electronic Properties of Heavy Lanthanides (Gd, Tb, Dy, Er, Ho, Tm)

Crystals ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 82
Author(s):  
Radel R. Gimaev ◽  
Aleksei S. Komlev ◽  
Andrei S. Davydov ◽  
Boris B. Kovalev ◽  
Vladimir I. Zverev
Keyword(s):  
Rare Earth ◽  
Electronic Properties ◽  
High Purity ◽  
Materials Science ◽  
Rapid Development ◽  
Rare Earth Metals ◽  
State University ◽  
Important Place ◽  
Heavy Lanthanides ◽  
Baikov Institute

Rare earth metals (REM) occupy a special and important place in our lives. This became especially noticeable during the rapid development of industry in the industrial era of the twentieth century. The tendency of development of the rare-earth metals market certainly remains in the XXI century. According to experts estimates the industry demand for chemical compounds based on them will tend to grow during the nearest years until it reaches the market balance. At the same time, the practical use of high-purity rare-earth metals requires the most accurate understanding of the physical properties of metals, especially magnetic ones. Despite a certain decline in interest in the study of high-purity REM single crystals during the last decade, a number of scientific groups (Ames Lab, Lomonosov Moscow State University (MSU), Baikov Institute of Metallurgy and Materials Science Russian Academy of Science (RAS)) are still conducting high-purity studies on high-purity metal samples. The present article is a combination of a review work covering the analysis of the main works devoted to the study of heavy REMs from gadolinium to thulium, as well as original results obtained at MSU. The paper considers the electronic properties of metals in terms of calculating the density of states, analyzes the regularities of the magnetic phase diagrams of metals, gives the original dependences of the Neel temperature and tricritical temperatures for Gd, Tb, Dy, Er, Ho, Tm, and also introduces a phenomenological parameter that would serve as an indicator of the phase transformation in heavy REMs.

Theory Of 3d Transition Metal Defects In 3C SiC

1996 ◽  
Vol 442 ◽  
Author(s):  
Harald Overhof
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Electronic Properties ◽  
Crystal Field ◽  
High Spin ◽  
Crystal Field Splitting ◽  
Large Crystal ◽  
Field Splitting ◽  
Vacancy Model ◽  
The Difference

AbstractThe electronic properties of 3d transition metal (TM) defects located on one of the four different tetrahedral positions in 3C SiC are shown to be quite site-dependent. We explain the differences for the 3d TMs on the two substitutional sites within the vacancy model: the difference of the electronic structure between the carbon vacancy VC and the silicon vacancy VSi is responsible for the differences of the 3d TMs. The electronic properties of 3d TMs on the two tetrahedral interstitial sites differ even more: the TMs surrounded tetrahedrally by four Si atoms experience a large crystal field splitting while the tetrahedral C environment does not give rise to a significant crystal field splitting at all. It is only in the latter case that high-spin configurations are predicted.

A multi-technique comparison of the electronic properties of pristine and nitrogen-doped polycrystalline SnO2

2016 ◽  
Vol 18 (32) ◽  
pp. 22617-22627 ◽  
Author(s):  
S. Livraghi ◽  
N. Barbero ◽  
S. Agnoli ◽  
C. Barolo ◽  
G. Granozzi ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Electronic Properties ◽  
Spectroscopic Techniques ◽  
Nitrogen Doped ◽  
Technique Comparison

The electronic structure of nitrogen doped tin(iv) oxide (SnO2) materials prepared in the form of nanometric powders has been characterized employing a variety of spectroscopic techniques.

DFT Investigation of Substitution Effects on the Electronic Properties of Perylene Bisimides Derivatives

2014 ◽  
Vol 513-517 ◽  
pp. 347-350
Author(s):  
Bo Wei Chen ◽  
Ye Wei Xu ◽  
Lin Zhang
Keyword(s):  
Electronic Structure ◽  
Electronic Properties ◽  
Absorption Spectra ◽  
Electronic Structures ◽  
Semiconductor Materials ◽  
Substitution Effects ◽  
Density Functions ◽  
Computational Results ◽  
Good Accordance ◽  
Perylene Bisimides

Perylene Bisimides Derivatives (PBIs) are typical semiconductor materials. The electronic structures of PBIs were successfully investigated by density functions theory (DFT). The computational results were in the good accordance with the experimental UV-vis spectra. Additionally, the electronic structure and the variational UV-vis absorption spectra of PBIs were explained.

CHANGES INDUCED IN THE SURFACE ELECTRONIC STRUCTURE OF Be(0001) AFTER Si ADSORPTION

2002 ◽  
Vol 09 (02) ◽  
pp. 687-691
Author(s):  
L. I. JOHANSSON ◽  
C. VIROJANADARA ◽  
T. BALASUBRAMANIAN
Keyword(s):  
Electronic Structure ◽  
Band Structure ◽  
Band Gap ◽  
Electronic Properties ◽  
Surface State ◽  
Core Level ◽  
Clean Surface ◽  
Core Level Spectrum ◽  
Surface Band ◽  
Surface Electronic Structure

A study of effects induced in the Be 1s core level spectrum and in the surface band structure after Si adsorption on Be(0001) is reported. The changes in the Be 1s spectrum are quite dramatic. The number of resolvable surface components and the magnitude of the shifts do decrease and the relative intensities of the shifted components are drastically different compared to the clean surface. The surface band structure is also strongly affected after Si adsorption and annealing. At [Formula: see text] the surface state is found to move down from 2.8 to 4.1 eV. The band also splits at around 0.5 Å-1 along both the [Formula: see text] and [Formula: see text] directions. At [Formula: see text] and beyond [Formula: see text] only one surface state is observed in the band gap instead of the two for the clean surface. Our findings indicate that a fairly small amount of Si in the outer atomic layers strongly modifies the electronic properties of these layers.

scholarly journals Synthesis and Optoelectronic Properties of Iptycene–Naphthazarin Dyes

Synlett ◽  
2018 ◽  
Vol 30 (01) ◽  
pp. 54-58 ◽  
Author(s):  
Timothy Swager ◽  
Cagatay Dengiz ◽  
You-Chi Wu
Keyword(s):  
Single Crystal ◽  
Electronic Properties ◽  
Diels Alder ◽  
Optoelectronic Properties ◽  
Synthesis And Characterization ◽  
Nmr Analysis ◽  
X Ray ◽  
Vis Spectroscopy

We report the synthesis and characterization of iptycene–naphthazarin dyes by using a sequential Diels–Alder approach. The tautomerization of naphthazarin was used as the key step in the synthesis, with structures confirmed by single-crystal X-ray and NMR analysis. The systematic trends in electronic properties were investigated by UV/Vis spectroscopy. BF2 complexes of the dyes were prepared by reaction with BF3·OEt2 in CH2Cl2.

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