Haloaluminate Ionic Liquid Based Electrolytes for Secondary Magnesium Batteries: Ab-Initio and Experimental Vibrational Analysis

2016 ◽  
Keyword(s):  
Ionic Liquid ◽  
Ab Initio ◽  
Vibrational Analysis ◽  
Magnesium Batteries ◽  
Secondary Magnesium

Unveiling anharmonic coupling by means of excited state ab initio dynamics: application to diarylethene photoreactivity

2019 ◽  
Vol 21 (7) ◽  
pp. 3606-3614 ◽  
Author(s):  
Maria Gabriella Chiariello ◽  
Umberto Raucci ◽  
Federico Coppola ◽  
Nadia Rega
Keyword(s):  
Excited State ◽  
Ab Initio ◽  
Vibrational Analysis ◽  
Time Resolved ◽  
Anharmonic Coupling ◽  
New Time

We adopted excited state ab initio dynamics and a new time resolved vibrational analysis to unveil coupling between modes promoting photorelaxation.

Progress in retrospect of electrolytes for secondary magnesium batteries

2020 ◽  
Vol 422 ◽  
pp. 213478 ◽  
Author(s):  
Honglei Shuai ◽  
Jing Xu ◽  
Kejing Huang
Keyword(s):  
Magnesium Batteries ◽  
Secondary Magnesium

scholarly journals Valence electronic structure of [EMIM][B(CN)4]: ion-pair vs. bulk description

RSC Advances ◽  
2019 ◽  
Vol 9 (57) ◽  
pp. 33140-33146 ◽  
Author(s):  
I. Kuusik ◽  
M. Berholts ◽  
J. Kruusma ◽  
A. Tõnisoo ◽  
E. Lust ◽  
...  
Keyword(s):  
Ionic Liquid ◽  
Electronic Structure ◽  
Ab Initio ◽  
Photoelectron Spectrum ◽  
Ion Pair ◽  
Calculation Methods ◽  
Valence Electronic Structure

The ultraviolet photoelectron spectrum of the [EMIM][B(CN)4] ionic liquid was recorded and simulated using different ab initio ion-pair and bulk calculation methods.

Binary ionic liquid electrolytes containing organo-magnesium complex for rechargeable magnesium batteries

2012 ◽  
Vol 203 ◽  
pp. 195-200 ◽  
Author(s):  
Takeshi Kakibe ◽  
Jun-ya Hishii ◽  
Nobuko Yoshimoto ◽  
Minato Egashira ◽  
Masayuki Morita
Keyword(s):  
Ionic Liquid ◽  
Liquid Electrolytes ◽  
Magnesium Batteries ◽  
Rechargeable Magnesium Batteries
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