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"Regulating interfacial ion migration with pillar effect in layer-by-la" by Feier Niu, Yueyuan Mao et al.

Two-dimensional (2D) layered materials have promising prospects for Zn-storage due to their flexible and adjustable interlayer architecture. The strong electrostatic interaction and high diffusion energy barrier, however, lead to slow diffusion kinetics of Zn-ions between the 2D interfaces, limiting its widespread application. Herein, Ti3C2 MXene is introduced into the MoS2 interlayer by the "pillar effect" to assemble a layer-by-layer inter-embedded structure (L-MoS2/Ti3C2), which provides sufficient diffusion channels for Zn-ions. DFT computations and GITT confirm that the L-MoS2/Ti3C2 exhibits superior Zn-ions migration kinetics. Therefore, L-MoS2/Ti3C2 shows excellent long-term cycling stability (75.6% capacity retention after 7000 cycles at 15 A g-1) and glorious high-rate capability (107 mAh g-1 at 20 A g-1). In addition, the practical application of this material is demonstrated by evaluating the performance of L-MoS2/Ti3C2 in flexible quasi-solid-state aqueous zinc io ....

Aqueous Zinc Ion Batteries , Iffusion Kinetics , Flexible Battery , Xos 2 , Illared Structures ,

"Rational design of MWCNTs@amorphous carbon@MoS2: Towards high performa" by Feier Niu, Zhongchao Bai et al.

The sluggish diffusion kinetics of divalent Zn2+ in cathode and the limited availability of active material have seriously hindered the practical application of aqueous zinc ion batteries (AZIBs). Herein, multi-walled carbon nanotubes modified by amorphous carbon layer successfully compounded with MoS2 (MWCNTs@a-C@MoS2) are designed as the cathode for AZIBs. Benefiting from the large number of oxygenous groups on the loose surface of amorphous carbon, MoS2 can uniformly nucleate and grow on the MWCNTs, thus avoiding the agglomeration of MoS2 and improving the utilization of active materials. Therefore, this nanocomposite exhibits long-term cycling stability (78% capacity retention after 1000 cycles at 5 A g-1) and glorious high-rate capability (110 mAh g-1 at 12 A g-1). The electrochemical reaction kinetics of MWCNTs@a-C@MoS2 electrode were investigated by galvanostatic intermittent titration (GITT), cyclic voltammetry (CV) measurements and molecular dynamics (MD) simulations, indicati ....

Aqueous Zn Ion Batteries , Flexible Battery , Ayer Spacing Expansion , Xos 2 , Two Dimensional Materials ,

"A molecular dynamics study on the tribological behavior of molybdenum " by Boyu Wei, Ning Kong et al.


Abstract
The effect of grain boundary (GB) defects on the tribological properties of MoS has been investigated by molecular dynamics (MD) simulations. The GB defects-containing MoS during scratching process shows a lower critical breaking load than that of indentation process, owing to the combined effect of pushing and interlocking actions between the tip and MoS atoms. The wear resistance of MoS with GB defects is relevant to the misorientation angle due to the accumulation of long Mo-S bonds around the GBs. Weakening the adhesion strength between the MoS and substrate is an efficient way to improve the wear resistance of MoS with low-angle GBs. 2 2 2 2 2 2 ....

Grain Boundary , Isorientation Angle , Molecular Dynamics , Xos 2 , Tribological Behavior , தானிய எல்லை ,