Computational Chemistry Methods for Nanoporous Materials
... controlled by a shrinking factor, used to generate a corresponding grid of k-points in reciprocal space. For structures with very large unit cells, reciprocal space sampling can be limited to the Γ point; in general, it should be chosen so as to reach convergence on single-point energy. Recently, th ...
... controlled by a shrinking factor, used to generate a corresponding grid of k-points in reciprocal space. For structures with very large unit cells, reciprocal space sampling can be limited to the Γ point; in general, it should be chosen so as to reach convergence on single-point energy. Recently, th ...
The Role of Tetrahedral Building Blocks in Low-Dimensional Oxohalide Materials Iwan Zimmermann
... The arrangement of structural building blocks at the atomic level is of great importance in all crystalline materials as it directly relates to the physical properties. The easiest way of describing the connectivity of atomic building units in a crystal structure is in terms of its dimensionality. S ...
... The arrangement of structural building blocks at the atomic level is of great importance in all crystalline materials as it directly relates to the physical properties. The easiest way of describing the connectivity of atomic building units in a crystal structure is in terms of its dimensionality. S ...
Modular Chemistry: Secondary Building Units as a
... can be maintained throughout the reactionsan aspect that allows for their use as modules in the assembly of extended structures.1-18 Molecular modules can be designed to direct the formation of target structures as well as to impart desired physical properties to solid-state materials. In an effort ...
... can be maintained throughout the reactionsan aspect that allows for their use as modules in the assembly of extended structures.1-18 Molecular modules can be designed to direct the formation of target structures as well as to impart desired physical properties to solid-state materials. In an effort ...
lecture 10-12 mechanical failure
... Creep – Why we need to study? Materials are often placed in service at elevated temperatures and exposed to static mechanical stresses (e.g., turbine rotors in jet engines and steam generators that experience centrifugal stresses, and high-pressure steam lines). Deformation under such circumstan ...
... Creep – Why we need to study? Materials are often placed in service at elevated temperatures and exposed to static mechanical stresses (e.g., turbine rotors in jet engines and steam generators that experience centrifugal stresses, and high-pressure steam lines). Deformation under such circumstan ...
SFX as a low-cost `Spiro` hole-transport material
... Lead halide perovskite was rst introduced to photovoltaics as a sensitizer in dye-sensitized solar cells by Miyasaka.1 This material type has since attracted huge attention due to outstanding properties including high extinction coefficient, small exciton binding energy, long charge carrier diffusion ...
... Lead halide perovskite was rst introduced to photovoltaics as a sensitizer in dye-sensitized solar cells by Miyasaka.1 This material type has since attracted huge attention due to outstanding properties including high extinction coefficient, small exciton binding energy, long charge carrier diffusion ...
Paper Title
... electro-optic Q-switching can be achieved by amplitude or phase modulation in crystals due to optical distortion induced by an external electric field, namely employing the electro-optic effect [4]. Among the existing useful electro-optic crystals, such as the traditional DKDP [3] and lithium niobat ...
... electro-optic Q-switching can be achieved by amplitude or phase modulation in crystals due to optical distortion induced by an external electric field, namely employing the electro-optic effect [4]. Among the existing useful electro-optic crystals, such as the traditional DKDP [3] and lithium niobat ...
Oxide Thermoelectric Materials for Heat-to
... The localized characters of the electronic carriers in oxides can be exploited when the carriers with large effective masses can be heavily doped, thereby realizing large S and high σ simultaneously; the layered cobalt oxides and Ti-based oxides can be classified into this category. Another approach ...
... The localized characters of the electronic carriers in oxides can be exploited when the carriers with large effective masses can be heavily doped, thereby realizing large S and high σ simultaneously; the layered cobalt oxides and Ti-based oxides can be classified into this category. Another approach ...
Magnetoresistance, micromagnetism, and domain
... The effect of magnetic domain walls ~DW’s! on the transport properties of thin films and nanostructures is a topic of great current interest. Recent experimental research has extended early studies of iron single crystals1,2 to nanofabricated thin-film structures of 3d transition metals3–5 and trans ...
... The effect of magnetic domain walls ~DW’s! on the transport properties of thin films and nanostructures is a topic of great current interest. Recent experimental research has extended early studies of iron single crystals1,2 to nanofabricated thin-film structures of 3d transition metals3–5 and trans ...
10 - E-Prints Complutense
... siempre ahí. Por haberme enseñado que para conseguir lo que uno desea hay que esforzarse. Por su ejemplo de superación ante cualquier adversidad. Por todos los valores que me habéis transmitido. Por haber creído siempre en mí. Por ser esa primera chispa que enciende cada día mi Operación 2000. ...
... siempre ahí. Por haberme enseñado que para conseguir lo que uno desea hay que esforzarse. Por su ejemplo de superación ante cualquier adversidad. Por todos los valores que me habéis transmitido. Por haber creído siempre en mí. Por ser esa primera chispa que enciende cada día mi Operación 2000. ...
4.1.5 hydrophilic coating materials
... surfaces like glass, ceramics, plastics, textiles, paper, etc., a universal coating system is necessary. State-of-the-art systems [28-31] are still today not ideal. Titanium dioxide in the rutile phase is a commercial product synthesized by a sulphate or chloride process and used as white pigment. F ...
... surfaces like glass, ceramics, plastics, textiles, paper, etc., a universal coating system is necessary. State-of-the-art systems [28-31] are still today not ideal. Titanium dioxide in the rutile phase is a commercial product synthesized by a sulphate or chloride process and used as white pigment. F ...
COATED TOOLS - Coating Materials
... • made by bonding 0.5-1-mm layer of polycrystalline CBN to a carbide substrate by sintering under pressure • CBN tools are also made in small sizes without a substrate • Figure 22.10 Construction of a polycrystalline CBNor a diamond layer on a TiC insert • Because CBN tools are brittle, stiffness of ...
... • made by bonding 0.5-1-mm layer of polycrystalline CBN to a carbide substrate by sintering under pressure • CBN tools are also made in small sizes without a substrate • Figure 22.10 Construction of a polycrystalline CBNor a diamond layer on a TiC insert • Because CBN tools are brittle, stiffness of ...
Few-layer MoS2 saturable absorbers for short
... technology. Reports of few-layer MoS2 and observations of their thickness-dependent properties first appeared in the literature many decades before the graphene-led renaissance in 2D © 2015 Chinese Laser Press ...
... technology. Reports of few-layer MoS2 and observations of their thickness-dependent properties first appeared in the literature many decades before the graphene-led renaissance in 2D © 2015 Chinese Laser Press ...
3-nitroaniline and 3-nitrophenol – A novel non linear optical material
... systems have very large first order hyperpolarizabilities and possess a great potential to be used for NLO devices. Additional enhancement may be achieved during applications of the dc-electric field along the z axes. The transfer of a proton from 3-nitrophenol to 3-nitroaniline will tend to increas ...
... systems have very large first order hyperpolarizabilities and possess a great potential to be used for NLO devices. Additional enhancement may be achieved during applications of the dc-electric field along the z axes. The transfer of a proton from 3-nitrophenol to 3-nitroaniline will tend to increas ...
Density-functional band-structure calculations for La-, Y
... point would cross the abscissa at a higher value. We do not have a reasonable physical explanation for this deviation from linearity; most probably it is reflecting the numerical uncertainty of our procedure. The predicted solubility in CoP3 at 0 K may hence be read out of Fig. 3: 5% La, 3-6 % Y, an ...
... point would cross the abscissa at a higher value. We do not have a reasonable physical explanation for this deviation from linearity; most probably it is reflecting the numerical uncertainty of our procedure. The predicted solubility in CoP3 at 0 K may hence be read out of Fig. 3: 5% La, 3-6 % Y, an ...
Ultrasonic Testing
... quantification of either the reflected waves (pulse-echo) or the transmitted waves (through-transmission). Each of the two types is used in certain applications, but generally, pulse echo systems are more useful since they require one-sided access to the object being inspected. ...
... quantification of either the reflected waves (pulse-echo) or the transmitted waves (through-transmission). Each of the two types is used in certain applications, but generally, pulse echo systems are more useful since they require one-sided access to the object being inspected. ...
this PDF file - Canadian Center of Science and Education
... if layers 1 and 3 are transparent whether layer 2 is absorbing or not. If light waves travelling in layer 1 hit its interface to coherent thin layer 2, multiple internal reflections inside it and their interference are significant. Part of waves will be reflected back into layer 1 and the other wil ...
... if layers 1 and 3 are transparent whether layer 2 is absorbing or not. If light waves travelling in layer 1 hit its interface to coherent thin layer 2, multiple internal reflections inside it and their interference are significant. Part of waves will be reflected back into layer 1 and the other wil ...
Mechanical, electronic, and optical properties of Bi2S3 and Bi2Se3
... The second, commercially available (VASP) [38–41], code employs plane wave basis functions. The calculations performed with this code and reported here also use the LDA. The electron-ion interaction was considered in the form of the projector-augmented-wave (PAW) method with a plane wave up to an en ...
... The second, commercially available (VASP) [38–41], code employs plane wave basis functions. The calculations performed with this code and reported here also use the LDA. The electron-ion interaction was considered in the form of the projector-augmented-wave (PAW) method with a plane wave up to an en ...
Syntheses, Structures, and Luminescent Properties of the Zn and Cd
... (H3shi = salicylhydroxamic acid) have been prepared under solvothermal conditions. They are characterized by X-ray single-crystal diffraction, IR and elemental analysis. The crystal of 1 belongs to the tetragonal system, space group I41/a with a = 18.972(3), b = 18.972(3), c = 10.938(2) Å, V = 3937. ...
... (H3shi = salicylhydroxamic acid) have been prepared under solvothermal conditions. They are characterized by X-ray single-crystal diffraction, IR and elemental analysis. The crystal of 1 belongs to the tetragonal system, space group I41/a with a = 18.972(3), b = 18.972(3), c = 10.938(2) Å, V = 3937. ...
Correlation between Crystal Structure and Mobility in Organic Field
... Received March 23, 2004; E-mail: [email protected]; [email protected] ...
... Received March 23, 2004; E-mail: [email protected]; [email protected] ...
Graphitic carbon nitride materials: variation of structure and
... and a broad graphitic stacking peak.8 Montigaud et al. reported on the solvothermal condensation of melamine with cyanurchloride, which also worked at larger scales.9 Condensation performed at 250 C and 140 MPa revealed a weakly condensed product with low order and many pendant amino groups. Heati ...
... and a broad graphitic stacking peak.8 Montigaud et al. reported on the solvothermal condensation of melamine with cyanurchloride, which also worked at larger scales.9 Condensation performed at 250 C and 140 MPa revealed a weakly condensed product with low order and many pendant amino groups. Heati ...
Porosity in Metal–Organic Compounds - Omar Yaghi
... manner [18]. Heats of adsorption were calculated and the authors finally concluded a zeolite‐like sorption behavior of these molecular materials. However, these compounds lost porosity upon cycling due to their molecular structures collapsing into non‐porous solids. ...
... manner [18]. Heats of adsorption were calculated and the authors finally concluded a zeolite‐like sorption behavior of these molecular materials. However, these compounds lost porosity upon cycling due to their molecular structures collapsing into non‐porous solids. ...
selection and evaluation of materials for thermoelectric applications
... maximizing ZT, there are nevertheless some other parameters to consider. For example, because both n-type and p-type materials are needed in a thermoelectric device, it is important to be able to prepare two thermoelements with closely matched properties and compositions. As the efficiency of the th ...
... maximizing ZT, there are nevertheless some other parameters to consider. For example, because both n-type and p-type materials are needed in a thermoelectric device, it is important to be able to prepare two thermoelements with closely matched properties and compositions. As the efficiency of the th ...
the entry tests
... (B) Conductivity is much higher than metal (C) No conductivity (D) Just like metal 12) What does the young's modulus of the material mean? ( ) (A) The stress required to produce a unit elastic strain of the material (B) Elastic strain induced by unit stress in material (C) The ability of materials t ...
... (B) Conductivity is much higher than metal (C) No conductivity (D) Just like metal 12) What does the young's modulus of the material mean? ( ) (A) The stress required to produce a unit elastic strain of the material (B) Elastic strain induced by unit stress in material (C) The ability of materials t ...
History of metamaterials
The history of metamaterials begins with artificial dielectrics in microwave engineering as it developed just after World War II. Yet, there are seminal explorations of artificial materials for manipulating electromagnetic waves at the end of the 19th century.Hence, the history of metamaterials is essentially a history of developing certain types of manufactured materials, which interact at radio frequency, microwave, and later optical frequencies.As the science of materials has advanced, photonic materials have been developed which use the photon of light as the fundamental carrier of information. This has led to photonic crystals, and at the beginning of the new millennium, the proof of principle for functioning metamaterials with a negative index of refraction in the microwave range at 10.5 Gigahertz. This was followed by the first proof of principle for metamaterial cloaking (shielding an object from view), also in the microwave range, about six years later. However, a cloak that can conceal objects across the entire electromagnetic spectrum is still decades away. Many physics and engineering problems need to be solved.Nevertheless, negative refractive materials have led to the development of metamaterial antennas and metamaterial microwave lenses for miniature wireless system antennas which are more efficient than their conventional counterparts. Also, metamaterial antennas are now commercially available. Meanwhile, subwavelength focusing with the superlens is also a part of present-day metamaterials research.