scholarly journals Competition between Born solvation, dielectric exclusion, and Coulomb attraction in spherical nanopores

2021 ◽  
Vol 104 (4) ◽  
Author(s):  
Théo Hennequin ◽  
Manoel Manghi ◽  
John Palmeri
Keyword(s):  
1989 ◽  
Vol 40 (7) ◽  
pp. 3769-3776 ◽  
Author(s):  
H. A. Zachariades ◽  
E. A. Jackson

2012 ◽  
Vol 479-481 ◽  
pp. 619-622
Author(s):  
Chao Fang ◽  
Liang Yan Chen

In this paper the micro mechanism of BaTiO3 ferroelectric phase transition is studied based on the thermodynamic model using electron cloud model, and further the Curie - Weiss law is explained. The results indicate that the contraction of the electron cloud, as the temperature decreased through Curie temperature, causes oxygen ions shift the equilibrium position, and the Coulomb attraction makes Ti ion shift the equilibrium position causing phase transition; With temperature rising, the ion displacement polarization decreases owing to the electron cloud expansion effect, and the variation of dielectric constant with temperature follows the Curie - Weiss law.


It is shown that the inductive effect of a substituent can have contributions of both exchange and Coulomb type, but that the exchange terms can be treated empirically as though they arise from a short-range field effect. Calculations of the exchange terms for the halogens and the methyl group are in accord with the empirical values of inductive parameters deduced from spectroscopy. Evidence is given that for a methyl group the inductive perturbation is almost entirely of short range type and is probably dominated by the exchange terms but for a chloro substituent both the short range exchange repulsion and the long range Coulomb attraction are important.


1974 ◽  
Vol 9 (8) ◽  
pp. 2330-2339 ◽  
Author(s):  
P. J. Brussaard ◽  
S. Klarsfeld

1989 ◽  
Vol 173 ◽  
Author(s):  
Kunio Awaga ◽  
Tamotsu Inabe ◽  
Yusei Maruyama

ABSTRACTThe temperature dependence of the magnetic susceptibilities for several ±-nitronyl nitroxides have been measured. It is found that the intermolecular magnetic coupling in these radical crystals changes from antiferromagnetic to ferromagnetic depending on the substituents at ±-position. X-Ray crystal analysis and MO calculation have been carried out on the ferromagnetic ±-nitronyl nitroxide, 2-(4-nitrophenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxy 3-oxide, revealing a two-dimensional ferromagnetic network linked by the Nδ+...0δ− Coulomb attraction.


2018 ◽  
Vol 221 ◽  
pp. 152-157 ◽  
Author(s):  
Jun Jie Zhao ◽  
Yu Hang Li ◽  
Peng Fei Liu ◽  
Yu Lei Wang ◽  
Xu Lei Du ◽  
...  

2000 ◽  
Vol 609 ◽  
Author(s):  
Toshihiko Toyama ◽  
Akihito Shimode ◽  
Hiroaki Okamoto

ABSTRACTElectroreflectance spectroscopy measurements have been performed on light-emitting porous Si (LEPSi). The transmission electron microscope measurements reveal that LEPSi includes Si nanocrystals with a mean crystal size of 1–2 nm. The ER features are observed at a transition energy of 3.4 eV in all of the samples, giving that LEPSi still keeps the threedimensional (3D) electronic structure. Changes in the transition energies are not found for LEPSi with the different mean crystal sizes. Furthermore, we directly observed interband transitions of quantized states due to quantum-confined electron-hole (e-h) pairs in LEPSi as two or three extra ER features being located between 1.2 and 3.1 eV which are never observed in bulk crystalline Si. Employing a simple effective mass approximation model, we have evaluated the reduced mass, the kinetic energies and the Coulomb attraction energies of the quantumconfined e-h pairs. We also found that the energy distance between the transition energies at the ground state and the photoluminescence (PL) peak energies basically corresponds to the Coulomb attraction energies. Finally, we propose a new luminescent model based on interband transitions involving the quantum-confined dense e-h plasma.


Sign in / Sign up

Export Citation Format

Share Document