Improved ion adsorption capacities and diffusion dynamics in surface anchored MoS₂⊥Mo_4/3B₂ and MoS₂⊥Mo_4/3B₂O₂ heterostructures as anodes for alkaline metal-ion batteries

Abstract

Using the r2SCAN-rVV10 functional, the atomic structures and electrochemical properties of novel MoS2⊥boridene heterostructures in rechargeable alkaline metal-ion batteries (Li+, Na+ and K+) are evaluated.

Synergistic effect between ZnCo2O4 and Co3O4 induces superior electrochemical performance as anodes for lithium-ion batteries

“…In particular, the binary metal oxide Co 3 O 4 possesses various intriguing features, such as high theoretical capacity (∼890 mA h g −1 ), good thermal/chemical stability, excellent catalytic activity, easy production, low toxicity and high redox activity. 1–10 However, Co 3 O 4 unfortunately has numerous issues including poor ionic and electronic conductivity and drastic volume expansion/contraction during charge/discharge, resulting in unsatisfactory rate performance and unstable cycling performance, which ultimately restricts its commercial applications in LIBs. 11,12 Among various strategies that have been adopted to overcome the above issues of Co 3 O 4 anodes, the fabrication of nanoscale porous architectures with tailored morphology was suggested as an effective method to reduce the diffusion path length of ions and buffer volume variations that occur during the Li + insertion/de-insertion process.…”

“…27 Recently, it was reported that the framing of two different active materials in one frame was found to be promising to improve physical/chemical properties and provide high electrochemical reactivity and excellent mechanical stability due to the synergistic effect of each component. 7–10 Since ZnCo 2 O 4 and Co 3 O 4 individually exhibit severe limitations as an anode for LIBs, it would be novel to manufacture a single advanced electrode that combined the characteristics of the electrodes by offering high capacity due to the contribution of each electrode and that nullified their individual limitations during repeated charge/discharge cycles. Although Zn and Co have electrochemical activity toward lithium, their mutual favorable buffering matrices and complementary behavior may not only alleviate the large mechanical stress derived from the severe volume change during cycling but also contribute to enhancing the lithium-storage performance.…”

First-Principles Calculations of TiB4 and TiB5 as Anodes with High Capacity for Na-Ion Batteries

“…Currently, the method of separating MXene has been used to selectively etch the Al layer and successfully exfoliate the MAB phase into 2D TMBs labeled as MBenes, where “M” has the potential to be transition-metal elements or their solid solutions. , MBenes exhibit high stability as anode material for ion batteries and possess ultrahigh Young’s modulus and excellent electronic conductivity. Notably, 2D Mo 2 B 2 , Fe 2 B 2 , and some heterostructures based on Mo x B 2 are remarkable for applications as electrode materials in NIBs and electrocatalysts for the hydrogen evolution reaction. − …”