TY - JOUR
T1 - Experimental and computational studies of electrochemical anion intercalation into graphite from target-oriented designed borate-based ionic liquid electrolytes
AU - Beltrop, Kolja
AU - Madrid Madrid, Jose Carlos
AU - Meister, Paul
AU - Heckmann, Andreas
AU - Winter, Martin
AU - Akbay, Taner
AU - Ishihara, Tatsumi
AU - Placke, Tobias
N1 - Funding Information:
The authors wish to thank the Federal Ministry of Education and Research (BMBF, Germany) for funding this work in the project “Dual-Carb” ( 03XP0118 ). In addition, we gratefully acknowledge the support by the New Energy and Industry Technology Development Organization (NEDO, Japan) within the “ Development of innovative energy and environmental technology program ” ( 18100584-0 ).
Publisher Copyright:
© 2020 Elsevier B.V.
PY - 2020/9/1
Y1 - 2020/9/1
N2 - Here, we report on the fundamental experimental and computational analyses of target-oriented designed ionic liquid (IL) electrolytes composed of small and (electro)chemically stable borate-based anions with respect to their anion intercalation/de-intercalation behavior in graphite positive electrodes for dual-ion batteries (DIBs). Due to their relatively small size, borate-based anions (e.g., BF4ˉ) and electrolytes are of high interest for DIB cells in order to achieve a high specific capacity, which can, however, be impeded by electrolyte solvation effects. In order to exclude solvent effects, we develop and synthesize novel room-temperature IL electrolytes (RTILs), i.e., Pyr1101BF4/LiBF4 and Pyr1101CF3BF3/LiCF3BF3, which are characterized with respect to stability and anion intercalation behavior. These studies are combined with computational studies to gain fundamental insights into the electronic structures of the BF4ˉ and CF3BF3ˉ acceptor-type graphite intercalation compounds (GICs), staging stoichiometries, theoretical capacities and anion transport properties.
AB - Here, we report on the fundamental experimental and computational analyses of target-oriented designed ionic liquid (IL) electrolytes composed of small and (electro)chemically stable borate-based anions with respect to their anion intercalation/de-intercalation behavior in graphite positive electrodes for dual-ion batteries (DIBs). Due to their relatively small size, borate-based anions (e.g., BF4ˉ) and electrolytes are of high interest for DIB cells in order to achieve a high specific capacity, which can, however, be impeded by electrolyte solvation effects. In order to exclude solvent effects, we develop and synthesize novel room-temperature IL electrolytes (RTILs), i.e., Pyr1101BF4/LiBF4 and Pyr1101CF3BF3/LiCF3BF3, which are characterized with respect to stability and anion intercalation behavior. These studies are combined with computational studies to gain fundamental insights into the electronic structures of the BF4ˉ and CF3BF3ˉ acceptor-type graphite intercalation compounds (GICs), staging stoichiometries, theoretical capacities and anion transport properties.
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U2 - 10.1016/j.jpowsour.2020.228397
DO - 10.1016/j.jpowsour.2020.228397
M3 - Article
AN - SCOPUS:85086091253
SN - 0378-7753
VL - 469
JO - Journal of Power Sources
JF - Journal of Power Sources
M1 - 228397
ER -
