ChemInform Abstract: Structure Stability and Compressibility of Iron-Based Superconductor Nd(O0.88F0.12)FeAs under High Pressure.

ChemInform ◽  
2009 ◽  
Vol 40 (3) ◽  
Author(s):  
Haozhe Liu ◽  
et al. et al.
Keyword(s):  
High Pressure ◽  
Structure Stability ◽  
Iron Based ◽  
Abstract Structure

scholarly journals Enhancement of an Iron-Based Layered Compound Superconducting Properties by High Pressure Synthesis Technique

2008 ◽  
Vol 77 (Suppl.C) ◽  
pp. 40-43 ◽  
Author(s):  
Parasharam M. Shirage ◽  
Kiichi Miyazawa ◽  
Hijiri Kito ◽  
Hiroshi Eisaki ◽  
Akira Iyo
Keyword(s):  
High Pressure ◽  
Layered Compound ◽  
Superconducting Properties ◽  
High Pressure Synthesis ◽  
Synthesis Technique ◽  
Pressure Synthesis ◽  
Iron Based

ChemInform Abstract: Structure, Elasticity, Thermodynamics and High Pressure Behavior of ZnB4O7and CdB4O7.

ChemInform ◽  
2012 ◽  
Vol 43 (49) ◽  
pp. no-no
Author(s):  
B. Winkler ◽  
A. G. Castellanos Guzman ◽  
L. Wiehl ◽  
L. Bayarjargal ◽  
V. Milman
Keyword(s):  
High Pressure ◽  
Pressure Behavior ◽  
Abstract Structure

scholarly journals Compression Behavior and Vibrational Properties of New Energetic Material LLM-105 Analyzed Using the Dispersion-Corrected Density Functional Theory

Molecules ◽  
2021 ◽  
Vol 26 (22) ◽  
pp. 6831
Author(s):  
Tianming Li ◽  
Junyu Fan ◽  
Zhuoran Wang ◽  
Hanhan Qi ◽  
Yan Su ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
High Pressure ◽  
Uniaxial Compression ◽  
Density Functional ◽  
Structural Parameters ◽  
Energetic Material ◽  
Structure Stability ◽  
Vibrational Properties ◽  
Detailed Knowledge ◽  
Functional Theory

The 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105) is a newly energetic material with an excellent performance and low sensitivity and has attracted considerable attention. On the basis of the dispersion-corrected density functional theory (DFT-D), the high-pressure responses of vibrational properties, in conjunction with structural properties, are used to understand its intermolecular interactions and anisotropic properties under hydrostatic and uniaxial compressions. At ambient and pressure conditions, the DFT-D scheme could reasonably describe the structural parameters of LLM-105. The hydrogen bond network, resembling a parallelogram shape, links two adjacent molecules and contributes to the structure stability under hydrostatic compression. The anisotropy of LLM-105 is pronounced, especially for Raman spectra under uniaxial compression. Specifically, the red-shifts of modes are obtained for [100] and [010] compressions, which are caused by the pressure-induced enhance of the strength of the hydrogen bonds. Importantly, coupling modes and discontinuous Raman shifts are observed along [010] and [001] compressions, which are related to the intramolecular vibrational redistribution and possible structural transformations under uniaxial compressions. Overall, the detailed knowledge of the high-pressure responses of LLM-105 is established from the atomistic level. Uniaxial compression responses provide useful insights for realistic shock conditions.

ChemInform Abstract: Structure Redetermination and High Pressure Behavior of AgCuO2.

ChemInform ◽  
2010 ◽  
Vol 33 (30) ◽  
pp. no-no
Author(s):  
J. Curda ◽  
W. Klein ◽  
H. Liu ◽  
M. Jansen
Keyword(s):  
High Pressure ◽  
Pressure Behavior ◽  
Abstract Structure

Structure, stability, and superconductivity of new Xe–H compounds under high pressure

2015 ◽  
Vol 143 (12) ◽  
pp. 124310 ◽  
Author(s):  
Xiaozhen Yan ◽  
Yangmei Chen ◽  
Xiaoyu Kuang ◽  
Shikai Xiang
Keyword(s):  
High Pressure ◽  
Structure Stability

Encapsulated iron-based oxygen reduction electrocatalysts by high pressure pyrolysis

2017 ◽  
Vol 42 (36) ◽  
pp. 22887-22896 ◽  
Author(s):  
Lijie Zhong ◽  
Yang Hu ◽  
Lars Nilausen Cleemann ◽  
Chao Pan ◽  
Jakob Sværke ◽  
...  
Keyword(s):  
High Pressure ◽  
Oxygen Reduction ◽  
Iron Based

Ultrahigh strength of nanocrystalline iron-based alloys produced by high-pressure torsion

2010 ◽  
Vol 45 (17) ◽  
pp. 4745-4753 ◽  
Author(s):  
Tadahiko Furuta ◽  
Shigeru Kuramoto ◽  
Kayo Horibuchi ◽  
Tetsu Ohsuna ◽  
Zenji Horita
Keyword(s):  
High Pressure ◽  
High Pressure Torsion ◽  
Ultrahigh Strength ◽  
Nanocrystalline Iron ◽  
Iron Based

ChemInform Abstract: Structure and Microstructure of the High Pressure Synthesized Misfit Layer Compound [Sr2O2][CrO2]1.85.

ChemInform ◽  
2008 ◽  
Vol 39 (47) ◽  
Author(s):  
E. Castillo-Martinez ◽  
A. Schoenleber ◽  
S. van Smaalen ◽  
A. M. Arevalo-Lopez ◽  
M. A. Alario-Franco
Keyword(s):  
High Pressure ◽  
Layer Compound ◽  
Abstract Structure ◽  
Structure And Microstructure
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