Elucidating the molecular origins of the transference number in battery electrolytes using computer simulations
The rate at which rechargeable batteries can be charged and discharged is governed by the
selective transport of the working ions through the electrolyte. Conductivity, the parameter …
selective transport of the working ions through the electrolyte. Conductivity, the parameter …
Coordinating anions “to the rescue” of the lithium ion mobility in ternary solid polymer electrolytes plasticized with ionic liquids
Lithium salts with low coordinating anions such as bis (trifluoromethanesulfonyl) imide
(TFSI) have been the state‐of‐the‐art for polyethylene oxide (PEO)‐based “dry” polymer …
(TFSI) have been the state‐of‐the‐art for polyethylene oxide (PEO)‐based “dry” polymer …
Effects of ion size and dielectric constant on ion transport and transference number in polymer electrolytes
Salt-doped polymers without added solvents have the potential to be nonflammable, robust
electrolytes for batteries but suffer from low ion conductivity. Using bulky anions with …
electrolytes for batteries but suffer from low ion conductivity. Using bulky anions with …
Unprotected Organic Cations─ The Dilemma of Highly Li-Concentrated Ionic Liquid Electrolytes
Highly Li-concentrated electrolytes have been widely studied to harness their uniquely
varying bulk and interface properties that arise from their distinctive physicochemical …
varying bulk and interface properties that arise from their distinctive physicochemical …
Ion clusters and networks in water-in-salt electrolytes
Water-in-salt electrolytes (WiSEs) are a class of super-concentrated electrolytes that have
shown much promise in replacing organic electrolytes in lithium-ion batteries. At the …
shown much promise in replacing organic electrolytes in lithium-ion batteries. At the …
Salt-in-ionic-liquid electrolytes: Ion network formation and negative effective charges of alkali metal cations
Salt-in-ionic liquid electrolytes have attracted significant attention as potential electrolytes for
next generation batteries largely due to their safety enhancements over typical organic …
next generation batteries largely due to their safety enhancements over typical organic …
Influence of polarizability on the structure, dynamic characteristics, and ion-transport mechanisms in polymeric ionic liquids
We used atomistic simulations and compared the prediction of three different
implementations of force fields, namely, the original full partial charge system, the scaled …
implementations of force fields, namely, the original full partial charge system, the scaled …
Dynamic heterogeneity of solvent motion and ion transport in concentrated electrolytes
Molecular-level understanding of the cation transference number t+ 0, an important property
that characterizes the transport of working cations, is critical to the bottom-up design of …
that characterizes the transport of working cations, is critical to the bottom-up design of …
Polymer Architecture-Induced Trade-off between Conductivities and Transference Numbers in Salt-Doped Polymeric Ionic Liquids
Recent experiments have demonstrated that polymeric ionic liquids that share the same
cation and anion but possess different architectures can exhibit markedly different …
cation and anion but possess different architectures can exhibit markedly different …
Mechanisms of ion transport in lithium salt-doped polymeric ionic liquid electrolytes
Recent experimental results have demonstrated that polymeric ionic liquids doped with Li
salts exhibit enhanced ionic mobilities and lithium ion transference numbers with increasing …
salts exhibit enhanced ionic mobilities and lithium ion transference numbers with increasing …