Electrical Properties of Single-Component Molecular Crystals under High Pressure

2018 ◽  
Vol 28 (3) ◽  
pp. 217-224
Author(s):  
HengBo CUI ◽  
Reizo KATO
Keyword(s):  
High Pressure ◽  
Electrical Properties ◽  
Molecular Crystals ◽  
Single Component

scholarly journals High Pressure Crystal Structure and Electrical Properties of a Single Component Molecular Crystal [Ni(dddt)2] (dddt = 5,6-dihydro-1,4-dithiin-2,3-dithiolate)

Molecules ◽  
2019 ◽  
Vol 24 (10) ◽  
pp. 1843
Author(s):  
Hengbo Cui ◽  
Takao Tsumuraya ◽  
Hamish H.-M. Yeung ◽  
Chloe S. Coates ◽  
Mark R. Warren ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Electrical Properties ◽  
Molecular Crystal ◽  
Density Functional ◽  
Nodal Line ◽  
Single Component ◽  
Molecular Conductors ◽  
Cell Parameters ◽  
Pressure Independent

Single-component molecular conductors form an important class of materials showing exotic quantum phenomena, owing to the range of behavior they exhibit under physical stimuli. We report the effect of high pressure on the electrical properties and crystal structure of the single-component crystal [Ni(dddt)2] (where dddt = 5,6-dihydro-1,4-dithiin-2,3-dithiolate). The system is isoelectronic and isostructural with [Pd(dddt)2], which is the first example of a single-component molecular crystal that exhibits nodal line semimetallic behavior under high pressure. Systematic high pressure four-probe electrical resistivity measurements were performed up to 21.6 GPa, using a Diamond Anvil Cell (DAC), and high pressure single crystal synchrotron X-ray diffraction was performed up to 11.2 GPa. We found that [Ni(dddt)2] initially exhibits a decrease of resistivity upon increasing pressure but, unlike [Pd(dddt)2], it shows pressure-independent semiconductivity above 9.5 GPa. This correlates with decreasing changes in the unit cell parameters and intermolecular interactions, most notably the π-π stacking distance within chains of [Ni(dddt)2] molecules. Using first-principles density functional theory (DFT) calculations, based on the experimentally-determined crystal structures, we confirm that the band gap decreases with increasing pressure. Thus, we have been able to rationalize the electrical behavior of [Ni(dddt)2] in the pressure-dependent regime, and suggest possible explanations for its pressure-independent behavior at higher pressures.

scholarly journals Sintering and Electrical Properties of Silver Powders Prepared by High-Pressure Water Atomization

2016 ◽  
Vol 63 (13) ◽  
pp. 1027-1031 ◽  
Author(s):  
Takashi OGIHARA ◽  
Toshihiko KUBO ◽  
Kenji MINAMI ◽  
Hirokazu YASUDA ◽  
Yasuaki SATO ◽  
...  
Keyword(s):  
High Pressure ◽  
Electrical Properties ◽  
Water Atomization ◽  
Pressure Water

Numerical Study of Bicomponent Droplet Vaporization in a High Pressure Environment

1996 ◽  
Author(s):  
J. Stengele ◽  
H.-J. Bauer ◽  
S. Wittig
Keyword(s):  
High Pressure ◽  
High Temperature ◽  
Gas Phase ◽  
Numerical Study ◽  
Droplet Evaporation ◽  
Single Component ◽  
Vapor Concentration ◽  
Diffusion Limit ◽  
Evaporation Process ◽  
Droplet Vaporization

The understanding of multicomponent droplet evaporation in a high pressure and high temperature gas is of great importance for the design of modern gas turbine combustors, since the different volatilities of the droplet components affect strongly the vapor concentration and, therefore, the ignition and combustion process in the gas phase. Plenty of experimental and numerical research is already done to understand the droplet evaporation process. Until now, most numerical studies were carried out for single component droplets, but there is still lack of knowledge concerning evaporation of multicomponent droplets under supercritical pressures. In the study presented, the Diffusion Limit Model is applied to predict bicomponent droplet vaporization. The calculations are carried out for a stagnant droplet consisting of heptane and dodecane evaporating in a stagnant high pressure and high temperature nitrogen environment. Different temperature and pressure levels are analyzed in order to characterize their influence on the vaporization behavior. The model employed is fully transient in the liquid and the gas phase. It accounts for real gas effects, ambient gas solubility in the liquid phase, high pressure phase equilibrium and variable properties in the droplet and surrounding gas. It is found that for high gas temperatures (T = 2000 K) the evaporation time of the bicomponent droplet decreases with higher pressures, whereas for moderate gas temperatures (T = 800 K) the lifetime of the droplet first increases and then decreases when elevating the pressure. This is comparable to numerical results conducted with single component droplets. Generally, the droplet temperature increases with higher pressures reaching finally the critical mixture temperature of the fuel components. The numerical study shows also that the same tendencies of vapor concentration at the droplet surface and vapor mass flow are observed for different pressures. Additionally, there is almost no influence of the ambient pressure on fuel composition inside the droplet during the evaporation process.

Electrical Properties of YH3under High Pressure

2007 ◽  
Vol 76 (Suppl.A) ◽  
pp. 86-87 ◽  
Author(s):  
Takahiro Matsuoka ◽  
Takayasu Kitayama ◽  
Katsuya Shimizu ◽  
Yuki Nakamoto ◽  
Tomoko Kagayama ◽  
...  
Keyword(s):  
High Pressure ◽  
Electrical Properties

The structural stability and electrical properties of Sr2FeMoxNb1 xO6(x= 0,0.3) under high pressure

2004 ◽  
Vol 16 (8) ◽  
pp. 1299-1305 ◽  
Author(s):  
X Zhao ◽  
R C Yu ◽  
L D Yao ◽  
F Y Li ◽  
Z X Liu ◽  
...  
Keyword(s):  
High Pressure ◽  
Electrical Properties ◽  
Structural Stability

Structural and electrical properties evolution in Ba1−xSrxRuO3 synthesized under high pressure

2009 ◽  
Vol 182 (6) ◽  
pp. 1524-1528 ◽  
Author(s):  
Jinggeng Zhao ◽  
Liuxiang Yang ◽  
Yong Yu ◽  
Fengying Li ◽  
Richeng Yu ◽  
...  
Keyword(s):  
High Pressure ◽  
Electrical Properties ◽  
Structural And Electrical Properties

Structural and electrical properties under high pressure for the superconducting spin-ladder systemSr0.4Ca13.6Cu24O41+δ

1998 ◽  
Vol 57 (1) ◽  
pp. 613-621 ◽  
Author(s):  
M. Isobe ◽  
T. Ohta ◽  
M. Onoda ◽  
F. Izumi ◽  
S. Nakano ◽  
...  
Keyword(s):  
High Pressure ◽  
Electrical Properties ◽  
Spin Ladder ◽  
Structural And Electrical Properties

scholarly journals Electrical properties, equations of state and phase transition in solid C 60 at high pressure

2000 ◽  
Vol 9 (9) ◽  
pp. 676-679 ◽  
Author(s):  
Bao Zhong-xing ◽  
V H Schmidt ◽  
N S Dalal ◽  
C S Tu ◽  
N J Pinto ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Electrical Properties ◽  
Equations Of State
Sign in / Sign up

Export Citation Format

Share Document