Two-dimensional MnN utilized as high-capacity anode for Li-ion batteries

来源 :中国物理B(英文版) | 被引量 : 0次 | 上传用户:xym1013
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
When developing high performance lithium-ion batteries,high capacity is one of the key indicators.In the last decade,the progress of two-dimensional(2D)materials has provided new opportunities for boosting the storage capacity.Here,based on first-principles calculation method,we predict that MnN monolayer,a recently proposed 2D nodal-loop half-metal containing the metallic element Mn,can be used as a super high-capacity lithium-ion batteries anode.Its theoretical capacity is above 1554 mA·h/g,more than four times that of graphite.Meanwhile,it also satisfies other requirements for a good anode material.Specifically,we demonstrate that MnN is mechanically,dynamically,and thermodynamically stable.The configurations before and after lithium adsorption exhibit good electrical conductivity.The study of Li diffusion on its surface reveals a very low diffusion barrier(~0.12 eV),indicating excellent rate performance.The calculated average open-circuit voltage of the corresponding half-cell at full charge is also very low(~0.22 V),which facilitates higher operating voltage.In addition,the lattice changes of the material during lithium intercalation are very small(~1.2%-~4.8%),which implies good cycling performance.These results suggest that 2D MnN can be a very promising anode material for lithium-ion batteries.
其他文献
The circular dichroism(CD)signal of a molecule is usually weak,however,a strong CD signal in optical spectrum is desirable because of its wide range of applicat
A convolutional neural network is employed to retrieve the time-domain envelop and phase of few-cycle femtosecond pulses from transient-grating frequency-resolv
One method of cancer therapy is to utilize nano-antenna for thermal ablation.In this method,the electromagnetic waves emitted from the nano-antenna are absorbed
Doping concentration and thickness of an epitaxy layer are the most essential parameters for power devices.The conventional algorithm extracts these two paramet
The purpose of this article is to explore the cause of the over-response phenomenon of fiber x-ray sensor.The sensor is based on a length of PMMA fiber,whose en
We investigate a modified Anderson model at the large-N limit,where the Coulomb interaction is replaced by the Sachdev-Ye-Kitaev random interaction.The resistiv
Photoluminescence(PL)spectra of two different green InGaN/GaN multiple quantum well(MQW)samples S1 and S2,respectively with a higher growth temperature and a lo
We report our nuclear magnetic resonance(NMR)study on the structurally spin chain compound Ni2NbBO6 with complex magnetic coupling.The antiferromagnetic transit
The first-principles calculations based on density functional theory are performed to study F-,Cl-,and N-related defects of amorphous SiO2(a-SiO2)and their impa
期刊