Evaluating the behaviour of deep eutectic solvent electrolytes on 2D Ca₂C MXene anode for the Li-ion batteries

Abstract

The rechargeable Li-ion batteries (LIBs) are one of the green energy storage that has been utilized in large-scale devices. Hence, improving the LIBs performance play a crucial role in many...

Multifunctional solvent molecule design enables high-voltage Li-ion batteries

“…The total time was set to 20 ps with a time step of 1 fs in the NVT ensemble. Using the Einstein relationship 69 , the Li + diffusion coefficients at different temperatures can be calculated based on the slope of the average mean-square displacements (MSD) curves. The diffusion energy barriers and corresponding diffusion coefficients at 300 K were then calculated according to the Arrhenius equation 70 .…”

Beyond graphene: exploring the potential of MXene anodes for enhanced lithium–sulfur battery performance

“… 215 Electrolytes possessing suitable ionic conductivity, stability, and chemical composition play a crucial role in enhancing anode electrochemical performance while mitigating undesired side reactions. 216 There is a growing emphasis on environmental and sustainability considerations in the advancement of Li–S batteries. MXenes are known to be recyclable materials that house valuable transition metals.…”

Exploring efficient hydrogen evolution electrocatalysts of nonmetal atom doped Mo2CO2 MXenes by first-principles screening

“…O, OH, or F, and n = 1-3. MXene has shown excellent catalytic, electronic and magnetic properties, and has a range of practical applications, such as electrocatalysis, [15][16][17] lithium-ion batteries, [18][19][20] electromagnetic shielding 21 and electronic devices. 22,23 In particular, for electrocatalytic hydrogen evolution, the high specific surface area, excellent electronic conductivity and adjustable surface termination of MXene materials make them a promising candidate for low-cost HER catalysts.…”