Dendrite formation in Li-metal anodes: an atomistic molecular dynamics study
نویسندگان
چکیده
منابع مشابه
Core–Shell Nanoparticle Coating as an Interfacial Layer for Dendrite-Free Lithium Metal Anodes
Lithium metal based batteries represent a major challenge and opportunity in enabling a variety of devices requiring high-energy-density storage. However, dendritic lithium growth has limited the practical application of lithium metal anodes. Here we report a nanoporous, flexible and electrochemically stable coating of silica@poly(methyl methacrylate) (SiO2@PMMA) core-shell nanospheres as an in...
متن کاملMolecular dynamics simulation of Li surface erosion and bubble formation
Structure and dynamical properties of liquid Li containing He atoms were studied by the Molecular Dynamics method at various temperatures and densities and the diffusion coefficients were calculated. A new model of liquid Li surface is developed that shows the stratification of surface layers. The liquid Li sputtering yield, due to bombardment by slow He ions, was calculated for the new model a...
متن کاملGraphite-Encapsulated Li-Metal Hybrid Anodes for High-Capacity Li Batteries
Graphite has long been the most used commercial anode material in Li-ion batteries. However, it has a limited Li intercalation capacity of 372 mAh g , which cannot meet the increasing energy demand for Li-ion batteries. Here, we propose massive artificial graphite as a host material for the controlled deposition and stripping of Li metal within the internal space of the particles and demonstrat...
متن کاملMicroscopic dynamics in the liquid Li-Na alloy: an ab initio molecular dynamics study.
We present results for several structural and dynamical properties of the liquid Li(1-x)Na(x) alloy. The study has been carried out by means of the orbital-free ab initio molecular dynamics method, combined with local ionic pseudopotentials constructed within the same framework. We obtain good agreement with the available experimental data, reproducing accurately, the strong homocoordinating te...
متن کاملA molecular dynamics study of Li-doped borate glasses
The objective of this work is to investigate the effect of alkali content and temperature on the microstructure of lithium borate glasses, xLi2O · (1 − x)B2O3. We have applied the molecular dynamics technique with Ewald summation and periodic boundary conditions to a collection of ca. 256 particles confined within a primitive cubic cell and interacting through a BornMayer-Huggins type of potent...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: RSC Advances
سال: 2019
ISSN: 2046-2069
DOI: 10.1039/c9ra05067a