Rechargeable aprotic lithium (Li)–O2 batteries with high theoretical energy densities are
regarded as promising next‐generation energy storage devices and have attracted …

Rechargeable lithium–oxygen (Li–O2) batteries with ultrahigh theoretical energy density
have attracted great attention as energy storage and conversion devices. However, due to …

This paper presents the computational assessment of the electrochemical stability of a
series of alkyl methylimidazolium-based ionic liquids for their use as lithium battery …

Heat generation in lithium-ion batteries (LIBs), different in nominal battery capacity and
electrode materials (battery chemistry), is studied at various charge and discharge rates …

The influence of the length of the alkyl chain and water molecules on the hydrogen-bond
interaction of the chloride anion and imidazolium-based cation of the ionic liquid (IL) Cnmim …

Understanding the effect of vibronic coupling on electron transfer (ET) rates is a challenge
common to a wide range of applications, from electrochemical synthesis and catalysis to …

Electrochemical windows (ECWs) of the cyclic ammonium based ionic liquids formed by the
combination of two common pyrrolidinium cations—N, N‐butylmethyl pyrrolidinum (Pyr14) …

A user-friendly (time-dependent) density functional theory based algorithm is proposed to
design new donor–spacer–acceptor systems for electron transfer reactions. This algorithm is …

Driven by the growing demand of energy storage devices, rechargeable Li− O2 batteries,
especially non‐aqueous ones, are considered as one of the most promising technologies …

Lithium nitrate (LiNO 3) has been reported as a novel additive to improve the cycling
performance of Li/S batteries because LiNO 3 suppresses the polysulfide shuttling problem …