Novel SCS-IL-MP2 and SOS-IL-MP2 Methods for Accurate Energetics of Large-Scale Ionic Liquid Clusters

2015 ◽  
Vol 11 (8) ◽  
pp. 3610-3616 ◽  
Author(s):  
Jason Rigby ◽  
Santiago Barrera Acevedo ◽  
Ekaterina I. Izgorodina
Author(s):  
Nirvik Sen ◽  
Sameer Ekhande ◽  
K.K. Singh ◽  
S. Mukhopadhyay ◽  
R.S. Sirsam ◽  
...  

Author(s):  
Harrison A. Roy ◽  
Mary Rodgers

Ionic liquids (ILs) exhibit unique properties that have led to their development and widespread use for a variety of applications. Development efforts have generally focused on achieving desired macroscopic properties...


2019 ◽  
Vol 7 (20) ◽  
pp. 12556-12564 ◽  
Author(s):  
Youshi Lan ◽  
Tongan Yan ◽  
Minman Tong ◽  
Chongli Zhong

High-throughput construction of IL/MOF composites and discovery of the synergistic effect in the wire-tube conformation for efficient CO2/CH4 separation.


2020 ◽  
Vol 11 (16) ◽  
pp. 6844-6851 ◽  
Author(s):  
Jun Zhang ◽  
Eric T. Baxter ◽  
Manh-Thuong Nguyen ◽  
Venkateshkumar Prabhakaran ◽  
Roger Rousseau ◽  
...  

2018 ◽  
Vol 58 (1) ◽  
pp. 34-43 ◽  
Author(s):  
Xin Tan ◽  
Xiaomin Liu ◽  
Xiaoqian Yao ◽  
Yaqin Zhang ◽  
Kun Jiang

2014 ◽  
Vol 140 (7) ◽  
pp. 074303 ◽  
Author(s):  
Raymond Angélil ◽  
Jürg Diemand ◽  
Kyoko K. Tanaka ◽  
Hidekazu Tanaka

2021 ◽  
Vol 2021 ◽  
pp. 1-29
Author(s):  
Na Zhu ◽  
Kun Zhang ◽  
Feng Wu ◽  
Ying Bai ◽  
Chuan Wu

Developing post-lithium-ion battery technology featured with high raw material abundance and low cost is extremely important for the large-scale energy storage applications, especially for the metal-based battery systems such as aluminum, sodium, and magnesium ion batteries. However, their developments are still in early stages, and one of the major challenges is to explore a safe and reliable electrolyte. An ionic liquid-based electrolyte is attractive and promising for developing safe and nonflammable devices with wide temperature ranges owing to their several unique properties such as ultralow volatility, high ionic conductivity, good thermal stability, low flammability, a wide electrochemical window, and tunable polarity and basicity/acidity. In this review, the recent emerging limitations and strategies of ionic liquid-based electrolytes in the above battery systems are summarized. In particular, for aluminum-ion batteries, the interfacial reaction between ionic liquid-based electrolytes and the electrode, the mechanism of aluminum storage, and the optimization of electrolyte composition are fully discussed. Moreover, the strategies to solve the problems of electrolyte corrosion and battery system side reactions are also highlighted. Finally, a general conclusion and a perspective focusing on the current development limitations and directions of ionic liquid-based electrolytes are proposed along with an outlook. In order to develop novel high-performance ionic liquid electrolytes, we need in-depth understanding and research on their fundamentals, paving the way for designing next-generation products.


2018 ◽  
Vol 20 (19) ◽  
pp. 13547-13557 ◽  
Author(s):  
Yunzhi Li ◽  
Dandan Yuan ◽  
Qingchun Wang ◽  
Wei Li ◽  
Shuhua Li

The GEBF method with the ion-pair-based fragmentation has been developed to facilitate ab initio calculations of general ionic liquid clusters.


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