Implications of Na-ion solvation on Na anode–electrolyte interphase

2021 ◽  
Author(s):  
S.K. Vineeth ◽  
Chhail Bihari Soni ◽  
Yongming Sun ◽  
Vipin Kumar ◽  
Zhi Wei Seh
Keyword(s):  
Ion Solvation

Ion solvation by dipolar aprotic solvents. An ab initio study

1987 ◽  
Vol 52 (1) ◽  
pp. 6-13 ◽  
Author(s):  
Petr Kyselka ◽  
Zdeněk Havlas ◽  
Ivo Sláma
Keyword(s):  
Ab Initio ◽  
Geometry Optimization ◽  
Molecular Structures ◽  
Dimethyl Sulphoxide ◽  
Ion Solvation ◽  
Interaction Energies ◽  
Ab Initio Study ◽  
Solvation Energies ◽  
Dipolar Aprotic Solvents ◽  
Complete Geometry Optimization

The paper deals with the solvation of Li+, Be2+, Na+, Mg2+, and Al3+ ions in dimethyl sulphoxide, dimethylformamide, acetonitrile, and water. The ab initio quantum chemical method was used to calculate the solvation energies, molecular structures, and charge distributions for the complexes water···ion, acetonitrile···ion, dimethyl sulphoxide···ion, and dimethylformamide···ion. The interaction energies were corrected for the superposition error. Complete geometry optimization was performed for the complex water···ion. Some generalizations are made on the basis of the results obtained.

scholarly journals Transferable Ion Force Fields in Water from a Simultaneous Optimization of Ion Solvation and Ion–Ion Interaction

2021 ◽  
Author(s):  
Philip Loche ◽  
Patrick Steinbrunner ◽  
Sean Friedowitz ◽  
Roland R. Netz ◽  
Douwe Jan Bonthuis
Keyword(s):  
Force Fields ◽  
Simultaneous Optimization ◽  
Ion Solvation

Diversity-oriented synthesis of polymer membranes with ion solvation cages

Nature ◽  
2021 ◽  
Vol 592 (7853) ◽  
pp. 225-231
Author(s):  
Miranda J. Baran ◽  
Mark E. Carrington ◽  
Swagat Sahu ◽  
Artem Baskin ◽  
Junhua Song ◽  
...  
Keyword(s):  
Polymer Membranes ◽  
Ion Solvation ◽  
Diversity Oriented Synthesis

Model of Ion Solvation in Liquid Crystal Cells

1998 ◽  
Vol 37 (Part 2, No. 1A/B) ◽  
pp. L88-L90 ◽  
Author(s):  
Matthias Bremer ◽  
Shohei Naemura ◽  
Kazuaki Tarumi
Keyword(s):  
Liquid Crystal ◽  
Ion Solvation ◽  
Crystal Cells

Role of Local Response in Ion Solvation: Born Theory and Beyond

2016 ◽  
Vol 120 (26) ◽  
pp. 6238-6249 ◽  
Author(s):  
Richard C. Remsing ◽  
John D. Weeks
Keyword(s):  
Ion Solvation ◽  
Local Response

Impact of ion solvation on charge transport through [Os(bpy)2 (H2tzt) Cl]+ in the solid state

2004 ◽  
Vol 6 (13) ◽  
pp. 3551 ◽  
Author(s):  
Robert J. Forster ◽  
Deirdre Mulledy ◽  
Darren A. Walsh ◽  
Tia E. Keyes
Keyword(s):  
Solid State ◽  
Charge Transport ◽  
Ion Solvation

Ion solvation in 3-methyl-2-oxazolidone

1979 ◽  
Vol 8 (3) ◽  
pp. 197-200 ◽  
Author(s):  
Nahla Saleh ◽  
Joseph A. Caruso
Keyword(s):  
Ion Solvation
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