Directional Intermolecular Interactions for Precise Molecular Design of a High-Tc Multiaxial Molecular Ferroelectric

2019 ◽  
Vol 141 (4) ◽  
pp. 1781-1787 ◽  
Author(s):  
Chen-Kai Yang ◽  
Wang-Nan Chen ◽  
Yan-Ting Ding ◽  
Jing Wang ◽  
Yin Rao ◽  
...  
Keyword(s):  
Intermolecular Interactions ◽  
Molecular Design ◽  
High Tc

Molecular design for high Tc organic superconductors

1995 ◽  
Vol 70 (1-3) ◽  
pp. 1175-1176
Author(s):  
H. Yamochi ◽  
M. Kubota ◽  
G. Saito ◽  
K. Matsumoto
Keyword(s):  
Molecular Design ◽  
Organic Superconductors ◽  
High Tc

scholarly journals Inter- vs. Intramolecular Hydrogen Bond Patterns and Proton Dynamics in Nitrophthalic Acid Associates

Molecules ◽  
2020 ◽  
Vol 25 (20) ◽  
pp. 4720
Author(s):  
Kinga Jóźwiak ◽  
Aneta Jezierska ◽  
Jarosław J. Panek ◽  
Eugene A. Goremychkin ◽  
Peter M. Tolstoy ◽  
...  
Keyword(s):  
Intermolecular Interactions ◽  
Density Functional ◽  
Molecular Design ◽  
Inelastic Neutron Scattering ◽  
Density Functional Theory Calculations ◽  
Integrated Approach ◽  
Inelastic Neutron ◽  
Molecular Engineering ◽  
Intramolecular Interactions ◽  
Carboxyl Groups

Noncovalent interactions are among the main tools of molecular engineering. Rational molecular design requires knowledge about a result of interplay between given structural moieties within a given phase state. We herein report a study of intra- and intermolecular interactions of 3-nitrophthalic and 4-nitrophthalic acids in the gas, liquid, and solid phases. A combination of the Infrared, Raman, Nuclear Magnetic Resonance, and Incoherent Inelastic Neutron Scattering spectroscopies and the Car–Parrinello Molecular Dynamics and Density Functional Theory calculations was used. This integrated approach made it possible to assess the balance of repulsive and attractive intramolecular interactions between adjacent carboxyl groups as well as to study the dependence of this balance on steric confinement and the effect of this balance on intermolecular interactions of the carboxyl groups.

Precise Molecular Design of High-Tc 3D Organic–Inorganic Perovskite Ferroelectric: [MeHdabco]RbI3 (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane)

2017 ◽  
Vol 139 (31) ◽  
pp. 10897-10902 ◽  
Author(s):  
Wan-Ying Zhang ◽  
Yuan-Yuan Tang ◽  
Peng-Fei Li ◽  
Ping-Ping Shi ◽  
Wei-Qiang Liao ◽  
...  
Keyword(s):  
Molecular Design ◽  
High Tc ◽  
Inorganic Perovskite

High resolution STEM imaging study on high Tc superconductor YBa2CuaO7-x

1988 ◽  
Vol 46 ◽  
pp. 882-883
Author(s):  
H.-J. Ou ◽  
J. M. Cowley
Keyword(s):  
Crystal Structure ◽  
High Resolution ◽  
Grain Boundary ◽  
Strong Field ◽  
Imaging Study ◽  
Structure Defects ◽  
High Tc ◽  
High Tc Superconductor ◽  
Diffraction Patterns ◽  
Lattice Planes

Using the dedicate VG-HB5 STEM microscope, the crystal structure of high Tc superconductor of YBa2Cu3O7-x has been studied via high resolution STEM (HRSTEM) imaging and nanobeam (∽3A) diffraction patterns. Figure 1(a) and 2(a) illustrate the HRSTEM image taken at 10' times magnification along [001] direction and [100] direction, respectively. In figure 1(a), a grain boundary with strong field contrast is seen between two crystal regions A and B. The grain boundary appears to be parallel to a (110) plane, although it is not possible to determine [100] and [001] axes as it is in other regions which contain twin planes [3]. Following the horizontal lattice lines, from left to right across the grain boundary, a lattice bending of ∽4° is noticed. Three extra lattice planes, indicated by arrows, were found to terminate at the grain boundary and form dislocations. It is believed that due to different chemical composition, such structure defects occur during crystal growth. No bending is observed along the vertical lattice lines.

The many faces of STEM in materials science

1991 ◽  
Vol 49 ◽  
pp. 440-441
Author(s):  
John Silcox
Keyword(s):  
Materials Science ◽  
Auger Spectroscopy ◽  
Dark Field ◽  
High Tc Superconductors ◽  
High Tc ◽  
Acoustic Environment ◽  
Electromagnetic Vibration ◽  
The Many ◽  
Serial Mode

Determination of the microstructure and microchemistry of small features often provides the insight needed for the understanding of processes in real materials. In many cases, it is not adequate to use microscopy alone. Microdiffraction and microspectroscopic information such as EELS, X-ray microprobe analysis and Auger spectroscopy can all contribute vital parts of the picture. For a number of reasons, dedicated STEM offers considerable promise as a quantitative instrument. In this paper, we review progress towards effective quantitative use of STEM with illustrations drawn from studies of high Tc superconductors, compound semiconductors and metallization of H-terminated silicon.Intrinsically, STEM is a quantitative instrument. Images are acquired directly by detectors in serial mode which is particularly convenient for digital image acquisition, control and display. The VG HB501A at Cornell has been installed in a particularly stable electromagnetic, vibration and acoustic environment. Care has been paid to achieving UHV conditions (i.e., 10-10 Torr). Finally, it has been interfaced with a VAX 3200 work station by Kirkland. This permits, for example, the acquisition of bright field (or energy loss) images and dark field images simultaneously as quantitative arrays in perfect registration.

High Resolution Electron Microscopy of internal interfaces in layered materials

1990 ◽  
Vol 48 (4) ◽  
pp. 320-321
Author(s):  
Yoichi Ishida ◽  
Hideki Ichinose ◽  
Yutaka Takahashi ◽  
Jin-yeh Wang
Keyword(s):  
Grain Boundaries ◽  
Mirror Symmetry ◽  
Functional Materials ◽  
High Resolution Electron Microscopy ◽  
Layered Materials ◽  
Plane Boundary ◽  
Chemical Information ◽  
Layer Plane ◽  
High Tc ◽  
Cubic Metals

Layered materials draw attention in recent years in response to the world-wide drive to discover new functional materials. High-Tc superconducting oxide is one example. Internal interfaces in such layered materials differ significantly from those of cubic metals. They are often parallel to the layer of the neighboring crystals in sintered samples(layer plane boundary), while periodically ordered interfaces with the two neighboring crystals in mirror symmetry to each other are relatively rare. Consequently, the atomistic features of the interface differ significantly from those of cubic metals. In this paper grain boundaries in sintered high-Tc superconducting oxides, joined interfaces between engineering ceramics with metals, and polytype interfaces in vapor-deposited bicrystal are examined to collect atomic information of the interfaces in layered materials. The analysis proved that they are not neccessarily more complicated than that of simple grain boundaries in cubic metals. The interfaces are majorly layer plane type which is parallel to the compound layer. Secondly, chemical information is often available, which helps the interpretation of the interface atomic structure.

Intergrowth of modulated structures in high Tc Bi-Sr-Ca-Cu-O superconductors

1990 ◽  
Vol 48 (4) ◽  
pp. 76-77
Author(s):  
A.Q. He ◽  
G.W. Qiao ◽  
J. Zhu ◽  
H.Q. Ye
Keyword(s):  
Twin Structure ◽  
Modulated Structure ◽  
High Tc ◽  
One Dimensional ◽  
Lattice Constants ◽  
Superconducting Phases ◽  
Modulated Structures ◽  
Layer Structures

Since the first discovery of high Tc Bi-Sr-Ca-Cu-O superconductor by Maeda et al, many EM works have been done on it. The results show that the superconducting phases have a type of ordered layer structures similar to that in Y-Ba-Cu-O system formulated in Bi2Sr2Can−1CunO2n+4 (n=1,2,3) (simply called 22(n-1) phase) with lattice constants of a=0.358, b=0.382nm but the length of c being different according to the different value of n in the formulate. Unlike the twin structure observed in the Y-Ba-Cu-O system, there is an incommensurate modulated structure in the superconducting phases of Bi system superconductors. Modulated wavelengths of both 1.3 and 2.7 nm have been observed in the 2212 phase. This communication mainly presents the intergrowth of these two kinds of one-dimensional modulated structures in 2212 phase.

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