The cathode material LiNi 1/3 Co Mn O 2 for lithium-ion battery has a better electrochemical property than LiCoO . In order to improve its performance, Na-doped is one of the effective modifications. this article, based on density functional theory first-principles, conductivity and potential energy are calculated with Materials Studio Nanodcal, respectively. calculation results band gap, parti...

While huge research activities are being directed towards fast lithium ion conductors as potential elec-trolytes in batteries, it should be noted that also materials with low lithium diffusivity have many applications in modern technology. They are used, e.g., in semiconductor fabrication as non-doping sub-strate or are considered as tritium breeding blankets in fusion reactors offering both a ...

Nitrogen-doped carbon nanotubes (N-CNTs) have shown promising performance in a variety of applications: catalysts, catalyst supports, lithium-ion batteries and supercapacitors. While chemical vapor deposition continues to be the most common method for N-CNT fabrication, its complexity and high cost have prevented the practical implementation of N-CNTs on a larger scale. Here, we describe a new ...

The layered lithium borocarbide LiBC, isovalent with and structurally similar to the superconductor MgB2, is an insulator due to the modulation within the hexagonal layers (BC vs B2). We show that hole doping of LiBC results in Fermi surfaces of B-C p sigma character that couple very strongly to B-C bond stretching modes, precisely the features that lead to superconductivity at T(c) approximate...

We report the optical and dielectric properties in hafnium (Hf)-doped lithium niobate (LN) crystals. We investigated samples of congruent composition with various doping concentration varying from 0 to 8 mol%. The clamped and unclamped values of the electrooptic coefficient r22 of Hf-doped LN and the corresponding dielectric permittivity as well, have been experimentally determined and compared...

This research aim to optimize two kinds of cathode material, LNCA and lithium manganese rich materials (LNMC), which are potential cathodes of EV since their high theoretical specific capacity. However several drawbacks need to be improved such as their low cycling performance, unstable structure, and fast voltage fading. In this project doping other ions (Na, K, Al, Sn) replacing Ni and Mn ion...

NMR and high-resolution x-ray diffraction of several lithium-doped fullerides LixC60 show that the stoichiometry x512 represents a stable Li doping for a high symmetry C60-like phase, which might extend to much larger x. Li12C60 is fcc at high temperature, and it distorts to tetragonal upon cooling. We have evidence from C NMR that the C60 units are static in the tetragonal phase at least up to...

In this work we report on the conductivity, thermal and electrochemical behaviour of one member of a new family of organic plastic crystal electrolytes, the N,N’-trimethylenepyrazolium trifluoromethanesulfonimide, Pyr5. The salt shows a single plastic crystalline phase with ionic conductivities reaching up to 10-3 S.cm-1 in the solid state at low doping levels with a lithium imide salt. The Tem...

Although great efforts have been made, reproducible p-type doping is still one of the largest hurdles that hinders the optoelectronic applications of ZnO. In this Letter, a reproducible route to p-type ZnO films employing lithium-nitrogen as a dual-acceptor dopant has been demonstrated, and p-i-n structured light-emitting devices (LEDs) have been constructed. Obvious purple emissions have been ...