scholarly journals Thermophysical performances of (Sm1-xLux)3TaO7 (x = 0, 0.1, 0.3 and 0.5) ceramics

2021 ◽  
Vol 15 (3) ◽  
pp. 306-313
Author(s):  
Weiwei Sang ◽  
Hongsong Zhang ◽  
Huahui Chen ◽  
Bin Wen ◽  
Xinchun Li ◽  
...  
Keyword(s):  
Phase Transition ◽  
Thermal Expansion ◽  
Crystal Lattice ◽  
Band Gap ◽  
Phonon Scattering ◽  
Pyrochlore Structure ◽  
Lattice Energy ◽  
Molar Ratio ◽  
Crystal Lattice Energy ◽  
Electro Negativity

To optimize thermophysical performances, Sm3TaO7 was doped with Lu3+ and pressureless sintered at 1600 ?C. It was shown that Sm3+ is partly substituted by Lu3+ cations and the (Sm1-xLux)3TaO7 ceramics with a single pyrochlore structure are obtained.With increasing x value from 0 to 0.5, the band gap increases gradually from 4.677 to 4.880 eV. Owing to the enhanced phonon scattering caused by Lu3+ doping, the thermal conductivities at 800 ?C of the prepared samples are in the range of 0.95-1.44W?K?1?m?1. It was also confirmed that the phase transition is restrained effectively by substituting Sm3+ with Lu3+. Due to the reduction of crystal lattice energy and average electro-negativity difference, the thermal expansion coefficient (TEC) is heightened with increasing Lu content. TEC achieves the highest value (10.45 ? 10?6 K?1 at 1200 ?C) at the equal molar ratio between Sm3+ and Lu3+ cations (i.e. x = 0.5), which is much higher than those of 7YSZ and Sm2Zr2O7 ceramics.

Vapor pressure and crystal lattice energy of volatile palladium(II) β-iminoketonates

2010 ◽  
Vol 103 (1) ◽  
pp. 381-385 ◽  
Author(s):  
G. I. Zharkova ◽  
S. V. Sysoev ◽  
P. A. Stabnikov ◽  
V. A. Logvinenko ◽  
I. K. Igumenov
Keyword(s):  
Vapor Pressure ◽  
Crystal Lattice ◽  
Lattice Energy ◽  
Crystal Lattice Energy

Volatility and crystal lattice energy of palladium(II) chelates

2005 ◽  
Vol 46 (2) ◽  
pp. 320-327 ◽  
Author(s):  
G. I. Zharkova ◽  
P. A. Stabnikov ◽  
S. A. Sysoev ◽  
I. K. Igumenov
Keyword(s):  
Crystal Lattice ◽  
Lattice Energy ◽  
Crystal Lattice Energy

Electrostatic Energy in Inorganic and Organic Salts Containing Octahedral SnCl62- Ion

1991 ◽  
Vol 44 (6) ◽  
pp. 779 ◽  
Author(s):  
P Dokurno ◽  
J Lubkowski ◽  
J Czerminski ◽  
J Blazejowski
Keyword(s):  
Crystal Lattice ◽  
Geometry Optimization ◽  
Optimization Procedure ◽  
Lattice Energy ◽  
Electrostatic Energy ◽  
Organic Salts ◽  
Coulombic Interactions ◽  
Crystal Lattice Energy ◽  
Ewald Method ◽  
Ionic Nature

Hexachlorostannic acid is a precursor of derivatives of an ionic nature. The electrostatic part of the lattice energy in alkali metal salts and nitrogen organic base salts containing the SnCl62- ion was determined by adopting the Ewald method. This approach requires knowledge of the complete or at least partial crystal structures of the compounds. In the case of incomplete structures the MNDO geometry optimization procedure was successfully applied to find the unknown positions of atoms, and thus permitted a wider representation of compounds to be considered. The crystal lattice energy calculations were carried out by taking from four different literature sources data regarding charge distribution in SnCl62-. It was further assumed that the positive charge in cations was located either directly on certain atoms or distributed between all the atoms in these ions. These latter net atomic charges were evaluated by applying INDO and MNDO methods. The electrostatic energies derived compare well with published values of the crystal lattice energy; this implies that, in the case of the compounds examined, the main contribution to the cohesive forces is made by Coulombic interactions.

scholarly journals Contribution of Crystal Lattice Energy on the Dissolution Behavior of Eutectic Solid Dispersions

ACS Omega ◽  
2020 ◽  
Vol 5 (17) ◽  
pp. 9690-9701
Author(s):  
Kaushalendra Chaturvedi ◽  
Harsh S. Shah ◽  
Kajal Nahar ◽  
Rutesh Dave ◽  
Kenneth R. Morris
Keyword(s):  
Crystal Lattice ◽  
Solid Dispersions ◽  
Lattice Energy ◽  
Dissolution Behavior ◽  
Crystal Lattice Energy
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