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Studies of Nanocrystalline SnO2 Doped with Titanium (Ti), Yttrium (Y
Studies of Nanocrystalline SnO2 Doped with Titanium (Ti), Yttrium (Y

... (SnO2) are currently of considerable technological interest as they are being used in the chemical, pharmaceutical, ceramic and electronic industries. The material speciality is on dual valency that the tin atom possessed, with tin preferably attaining an oxidation state of 2+ or 4+. This dual valen ...
Luminescence from Zinc Oxide Nanostructures and
Luminescence from Zinc Oxide Nanostructures and

... Ag, are supposed to be good acceptors when replacing a Zn site, and they form deep acceptors with ionization energies around a few hundred meV above the valence band [7]. This implies that under normal conditions, i.e., at equilibrium, doping can be achieved without any ionization leading to free ho ...
3D Atomic Arrangement at Functional Interfaces
3D Atomic Arrangement at Functional Interfaces

... ABSTRACT: With current science and technology moving rapidly into smaller scales, nanometer-sized materials, often referred to as NPs, are produced in increasing numbers and explored for numerous useful applications. Evidence is mounting, however, that useful properties of NPs can be improved furthe ...
Doping effects on the structural and optical properties of GaN
Doping effects on the structural and optical properties of GaN

... (UV) regions are possible to produce. Multi-junction solar cell approach based on InGaN, for example, offers possibility of using the whole solar energy range with theoretical efficiencies of 60% [2] compared to theoretical efficiency limit for Si based solar cells at ~30% [3]. ...
Aluminum Borohydride Complex with
Aluminum Borohydride Complex with

... together by H···H bonds between [Al(EDA)3]3+, EDA, and BH4 groups. Each Al3+ cation is linked via six N atoms to three chemically equivalent EDA molecules to form an octahedrally coordinated complex as shown in Figure 2b. Each surrounding EDA molecule has lone pairs on two N atoms, which form chelat ...
Mohammad.Nazari-Dissertation-
Mohammad.Nazari-Dissertation-

... Texas Tech University, Mohammad Nazari, August 2013 ...
Ab-initio calculations for structural properties of Zr–Nb alloys
Ab-initio calculations for structural properties of Zr–Nb alloys

... whereas niobium has BCC structure. Hence, it is only natural to expect that alloys Zr– x Nb will have HCP structure at low niobium concentration x whereas BCC structure will be stable for large x . Since zirconium and niobium are different only for one electron and are characterized by close package ...
VIKTORIIA LEVUSHKINA Energy transfer processes in the solid
VIKTORIIA LEVUSHKINA Energy transfer processes in the solid

... mechanical, or electronic properties in comparison to the constituting “pure” components, when only one kind of cation from the considered pair is present in the crystal lattice (like ZnxMg1-xWO4 solution and ZnWO4, MgWO4 “pure” components). The modifications of physical properties are determined pr ...
Thermally Driven Crossover from Indirect toward Direct Bandgap in
Thermally Driven Crossover from Indirect toward Direct Bandgap in

... PL intensity becomes much stronger at high temperatures without any need for a phonon-assisted process. The abnormal increase in PL intensity at high temperatures, on the other hand, cannot be attributed to Boltzmann tailing of equilibrium electrons populating the conduction and valence bands at the ...
Ab initio modelling of mechanical and elastic properties of solids
Ab initio modelling of mechanical and elastic properties of solids

... dimensions to the atomistic length scale of chemical bonds between the atoms, spanning several length scales in between that are associated with, for example, particles, grains or dislocations. On all these scales the total fracture energy might be accumulated. The materials science approach for und ...
Mössbauer Spectrometry
Mössbauer Spectrometry

... both nuclei must be embedded in solids, a phenomenon known as the “Mössbauer effect.” Mössbauer spectra give quantitative information on “hyperfine interactions,” which are small energies from the interaction between the nucleus and its neighboring electrons. The three important hyperfine interactio ...
Excited State Dynamics of Metalloporphyrins Utilized in Organic
Excited State Dynamics of Metalloporphyrins Utilized in Organic

... include coal, gas, and oil while photovoltaics constitute a small portion (< 0.1%). The photovoltaic market is primarily comprised of silicon based photovoltaics which are currently unable to compete with fossil fuels in cost per kilowatt hour. However, emerging organic photovoltaics (OPVs) have sho ...
1307_1.pdf
1307_1.pdf

... Single crystal semiconductors of have two types of photoconduction, extrinsic and intrinsic. In the extrinsic case, a free electron in an n-type photoconductor, or a free hole in a p-type photoconductor is created through the impurity levels when the light illuminates the semiconductor. However, on ...
Investigation of deep levels in bulk GaN  Tran Thien Duc
Investigation of deep levels in bulk GaN Tran Thien Duc

... Since there is a lack of native substrates of GaN, foreign substrates such as sapphire or SiC are used. Due to the difference in lattice parameters of the substrate and GaN, the dislocation density in the material is high (in the order of >109 cm-2 for a 1µm thick layer). However, the dislocation d ...
Unusually Dense Crystal Packings of Ellipsoids
Unusually Dense Crystal Packings of Ellipsoids

... other possibilities exist for laminated packings with alternating orientations between layers, and one such example is shown in Fig. 5. More generally, we believe it is important to identify the densest periodic packings of ellipsoids with small numbers of ellipsoids per unit cell. This may be done ...
www.rsc.org/materials
www.rsc.org/materials

... compounds are thus a straight consequence of the unsurpassed electron-withdrawing properties of F, which probably must be treated as a kind of force majeure exerted by F upon all atomic partners in its vicinity. F has a voracious appetite for grabbing electrons from other atoms: first of all the de ...
Significance of grain boundaries for transport phenomena in
Significance of grain boundaries for transport phenomena in

... The water formation step may take place either at the cathode or at the anode depending on the properties of the electrolyte. A proton-conducting electrolyte enables the protons to travel through the cell, forming water with the oxygen ions at the cathode. If the electrolyte is an oxygen ion conduct ...
Kinetics and Diffusion Basic concepts in kinetics
Kinetics and Diffusion Basic concepts in kinetics

... equilibrium state, it has to obtain the energy that is sufficient to overcome the activation barrier. The energy can be obtained from thermal fluctuation (when the thermal energy is “pooled together” in a small volume). Statistical mechanics can be used to predict the probability that a system gets ...
Electronic transport at semiconductor
Electronic transport at semiconductor

... At the surface of a crystal, the atomic bonding geometry in the bulk is no longer necessarily the minimum free energy configuration. Atoms at the surface lack neighbours above them. For semiconductors such as silicon and germanium, the bonds are highly directional (covalent nature). Socalled dangling ...
Elastic response of cubic crystals to biaxial strain
Elastic response of cubic crystals to biaxial strain

Charge Transport in Organic Semiconductors
Charge Transport in Organic Semiconductors

... charge carriers to cross structural defects and to interact with impurities. The AC and DC mobility values generally deviate above a threshold frequency that depends on the degree of order in the samples. However, there are instances in which the two techniques result in similar mobility values, for ...
The fracture toughness of a cordierite square lattice
The fracture toughness of a cordierite square lattice

... cells for all batches. Additionally, for batch D, a larger specimen of height H equal to 16 cells was also tested. The mean value and range in strength for each batch is plotted as a function of the dimensionless geometric group at=l2 in Fig. 5. The critical bending stress obtained from the notched ...
N - Széchenyi István Egyetem
N - Széchenyi István Egyetem

... Energy bands in solid states In solids the atomic niveaus broaden energy bands are formed  vibrations (and rotations) in the crystal  momentum dependence of energy levels  splitting of degenerate states, … ...
Synthesis and Computational Studies of a New Class of Lanthanide
Synthesis and Computational Studies of a New Class of Lanthanide

... photoactivity of POMs is of great interest in modern inorganic chemistry due to their high charge densities, and versatile coordination environments. In POMs, transition metals typically have high oxidation states, and when co-coordinated to several oxygens, provide a rich electron source in photoac ...
Solid-state chemistry of lithium power sources
Solid-state chemistry of lithium power sources

... this can be rationalised entirely by considering only the ion repulsions,14 in some cases both ion and electron interactions are important.18 If, on the other hand, intercalation induces the formation of a new phase and both phases have fixed composition then insertion is simply accompanied by the c ...
1 2 3 4 5 ... 13 >

Electronic band structure

In solid-state physics, the electronic band structure (or simply band structure) of a solid describes those ranges of energy that an electron within the solid may have (called energy bands, allowed bands, or simply bands) and ranges of energy that it may not have (called band gaps or forbidden bands). Band theory derives these bands and band gaps by examining the allowed quantum mechanical wave functions for an electron in a large, periodic lattice of atoms or molecules. Band theory has been successfully used to explain many physical properties of solids, such as electrical resistivity and optical absorption, and forms the foundation of the understanding of all solid-state devices (transistors, solar cells, etc.).
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