a mos 2 /graphene/mos 2 Sandwich Structure and Na-ion Battery Capacity Prediction Method

A technology of mos2-mos2 and prediction method, applied in the field of physical chemistry, can solve problems such as lack of accuracy, difficulty in realization, and insufficient theoretical capacity

Active Publication Date: 2021-09-07
YANGEN UNIV
View PDF8 Cites 0 Cited by
  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

[0005] In view of the deficiencies in the prior art, the purpose of the present invention is to provide a MoS 2 / graphene / MoS 2 Sandwich structure and Na-ion battery capacity prediction method to solve the atomic-scale precision that cannot be achieved by experimental means in the existing technology, and the experimental environment is difficult to realize MoS 2 / graphene / MoS 2 Material synthesis, MoS 2 The theoretical capacity of Na ions in two-dimensional nanolayered materials is not high enough, and the problem of optimal diffusion of Na ions in the material

Method used

the structure of the environmentally friendly knitted fabric provided by the present invention; figure 2 Flow chart of the yarn wrapping machine for environmentally friendly knitted fabrics and storage devices; image 3 Is the parameter map of the yarn covering machine
View more

Image

Smart Image Click on the blue labels to locate them in the text.
Viewing Examples
Smart Image
  • a mos <sub>2</sub> /graphene/mos <sub>2</sub> Sandwich Structure and Na-ion Battery Capacity Prediction Method
  • a mos <sub>2</sub> /graphene/mos <sub>2</sub> Sandwich Structure and Na-ion Battery Capacity Prediction Method
  • a mos <sub>2</sub> /graphene/mos <sub>2</sub> Sandwich Structure and Na-ion Battery Capacity Prediction Method

Examples

Experimental program
Comparison scheme
Effect test

Embodiment Construction

[0028] In order to make the technical means, creative features, goals and effects achieved by the present invention easy to understand, the present invention will be further described below in conjunction with specific embodiments.

[0029] see Figure 1-Figure 6 , the present invention provides a MoS 2 / graphene / MoS 2 Sandwich structure and scheme of Na-ion battery capacity prediction method: MoS 2 (space group P63 / mmc) and graphene (space group P63 / mmc) are similar in structure, but their properties are very different, MoS 2 It is an indirect bandgap semiconductor with a bandgap of 1.29eV. It is composed of S-Mo-S sheets acted by weak van der Waals force. How to form a stable structural model between the two must first be determined by calculation. The steps include:

[0030] 1) Preliminary determination of crystal atomic composition ratio: through graphene lattice parameters: MoS 2 Lattice parameters: The interlayer force is a weak van der Waals (VDW) interaction. I...

the structure of the environmentally friendly knitted fabric provided by the present invention; figure 2 Flow chart of the yarn wrapping machine for environmentally friendly knitted fabrics and storage devices; image 3 Is the parameter map of the yarn covering machine
Login to view more

PUM

No PUM Login to view more

Abstract

The invention discloses a MoS 2 / graphene / MoS 2 The invention relates to a sandwich structure and a method for predicting the capacity of a Na-ion battery, belonging to the field of physical chemistry. In order to solve the atomic-scale precision that cannot be achieved by experimental methods in the existing technology, it is difficult to realize MoS in the experimental environment. 2 / graphene / MoS 2 Material synthesis, MoS 2 The theoretical capacity of Na ions in two-dimensional nanolayered materials is not high enough, and the optimal diffusion of Na ions in the material is a problem. The present invention constructs a brand-new three-layer MoS by first principles 2 / graphene / MoS 2 For sandwich structure materials, the stable structure of the material under the corresponding pressure is calculated for the first time, the optimal interlayer distance is obtained when the structure is stable, the possible electron migration related characteristics are calculated, and the Na ion intercalation / deintercalation of the material is predicted based on the results Intercalation performance, the results show that the material can be used as a very potential Na-ion battery (NIB) electrode (negative electrode) material.

Description

technical field [0001] The present invention is a MoS 2 / graphene / MoS 2 The invention relates to a sandwich structure and a method for predicting the capacity of a Na-ion battery, belonging to the field of physical chemistry. Background technique [0002] Two-dimensional (2D) atomic crystals usually have different properties from their three-dimensional (3D) bulk crystals. Graphene was the most studied 2D material in the past few years. For depositional growth, however, the simple chemistry of only C–C bonds may limit its practical application. [0003] As graphene continues to be studied and its derivative two-dimensional layered structures are explored, complex layered materials composed of more than one element may offer new opportunities due to their wide variety of structural components that can be targeted to specific Especially in the interior of two-dimensional layered transition metal-sulfur compounds (structure is very similar to graphite), the movement of d ele...

Claims

the structure of the environmentally friendly knitted fabric provided by the present invention; figure 2 Flow chart of the yarn wrapping machine for environmentally friendly knitted fabrics and storage devices; image 3 Is the parameter map of the yarn covering machine
Login to view more

Application Information

Patent Timeline
no application Login to view more
Patent Type & Authority Patents(China)
IPC IPC(8): G01R31/378G01R31/387H01M4/36H01M4/58H01M4/62B82Y30/00
CPCB82Y30/00G01R31/378G01R31/387H01M4/366H01M4/5815H01M4/625Y02E60/10
Inventor 温新竹秦少平刘明真杨雪婷
Owner YANGEN UNIV
Who we serve
  • R&D Engineer
  • R&D Manager
  • IP Professional
Why Eureka
  • Industry Leading Data Capabilities
  • Powerful AI technology
  • Patent DNA Extraction
Social media
Try Eureka
PatSnap group products

Browse by: Latest US Patents, China's latest patents, Technical Efficacy Thesaurus, Application Domain, Technology Topic.

© 2024 PatSnap. All rights reserved.Legal|Privacy policy|Modern Slavery Act Transparency Statement|Sitemap