Ionic liquids (ILs) are used as electrolytes in high-performance lithium-ion batteries, which can effectively improve battery safety and energy storage capacity. All atom molecular dynamics simulation and experiment were combined to investigate the effect of the concentration of lithium salt on the performance of electrolytes of four IL solvents ([C n mim][TFSI] and [C n mim][FSI], n = 2, 4). The IL electrolytes exhibit higher density and viscosity; meanwhile, larger lithium ion transfer numbers as the concentration of LiTFSI increases. Furthermore, in order to explore the effect of the concentration of lithium salt on the ionic associations of Li + and anion of IL, the microstructures of the lithium salt in various IL electrolytes at different concentrations were investigated. The structural analysis indicated that strong bidentate and monodentate coordination was found between Li + and anion of all IL electrolytes. Both cis and trans isomerism of [FSI] − were observed in [FSI] −-type IL electrolyte systems. Furthermore, the existence of the ion cluster [Li[anion] x ] (x−1)− in IL electrolytes and the cluster became more closed and compact as the concentration of LiTFSI increases.

NADH is a required cofactor for enzymatic hydrogenation of CO 2 to methanol, but the high costs of NADH deter its large-scale application. Photocatalytic reduction of NAD + to NADH is a promising solution that utilizes limitless solar energy. The success of photocatalytic reduction of NAD + depends on the use of a photosensitizer that must enable efficient electron transfer from the photosensitizer to the catalyst. Among the evaluated photosensitizers, ionic porphyrin (ZnTPyPBr) was found to be the most efficient photosensitizer for in situ NADH regeneration. Compared to the free system (control), methanol concentration was increased sevenfold when a membrane was used as a support to integrate cascade enzymatic reaction and NADH regeneration.

Fundamental molecular insights were provided to understand the advantages of IL solvent electrolytes with high conductivity over organic solvent electrolytes.