Physical Chemistry of Lithium Intercalation Compounds

Julien, C.

doi:10.1007/978-94-010-0389-6_15

New Trends in Intercalation Compounds for Energy Storage 2002

DOI: 10.1007/978-94-010-0389-6_15

|View full text |Cite

Physical Chemistry of Lithium Intercalation Compounds

C. Julien

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2013

Publication Types

Select...

Article1

Relationship

Self Cite0

Independent1

Authors

Journals

Cited by 1 publication

References 75 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

Critical electronic structures controlling phase transitions induced by lithium ion intercalation in molybdenum disulphide

Chen

2013

Chin. Sci. Bull.

View full text Add to dashboard Cite

We report on first-principles studies of lithium-intercalation-induced structural phase transitions in molybdenum disulphide (MoS 2 ), a promising material for energy storage in lithium ion batteries. It is demonstrated that the inversion-symmetry-related Mo-S p-d covalence interaction and the anisotropy of d-band hybridization are the critical factors influencing the structural phase transitions upon Li ion intercalation. Li ion intercalation in 2H-MoS 2 leads to two competing effects, i.e. the 2H-to-1T transition due to the weakening of Mo-S p-d interaction and the D 6h crystal field, and the charge-density-wave transition due to the Peierls instability in Li-intercalated 2H phase. The stabilization of charge density wave in Li-intercalated MoS 2 originates from the enhanced electron correlation due to nearest-neighbor Mo-Mo d-d covalence interaction, conforming to the extended Hubbard model. The magnitude of charge density wave is affected by Mo-S p-d covalence interaction and the anisotropy of d-band hybridization. In 1T phase of Li-intercalated MoS 2 , the strong anisotropy of d-band hybridization contributes to the strong Fermi surface nesting while the d-band nonbonding with S-p facilities effective electron injection. MoS 2 , phase transition, charge density wave, p-d interaction, first-principles Citation:Chen X B, Chen Z L, Li J. Critical electronic structures controlling phase transitions induced by lithium ion intercalation in molybdenum disulphide.

show abstract

Critical electronic structures controlling phase transitions induced by lithium ion intercalation in molybdenum disulphide

Chen

2013

Chin. Sci. Bull.

View full text Add to dashboard Cite

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

customersupport@researchsolutions.com

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Physical Chemistry of Lithium Intercalation Compounds

Cited by 1 publication

References 75 publications

Critical electronic structures controlling phase transitions induced by lithium ion intercalation in molybdenum disulphide

Critical electronic structures controlling phase transitions induced by lithium ion intercalation in molybdenum disulphide

Contact Info

Product

Resources

About