Structural destabilization induced by lithium intercalation in MoS 2 and related compounds

✍ Scribed by Py, M. A.; Haering, R. R.

• Book ID: 118235583
• Publisher: NRC Research Press
• Year: 1983
• Tongue: English
• Weight: 441 KB
• Volume: 61
• Category: Article
• ISSN: 0008-4204
• DOI: 10.1139/p83-013

✦ Synopsis

2H-MoS2 is a semiconductor with a hexagonal layered structure. Each Mo atom is prismatically coordinated by six S atoms. Our in situ X-ray diffraction results indicate that, upon intercalation, the MoS2 host lattice undergoes a first order phase transition in which the Mo coordination changes from trigonal prismatic to octahedral (1T structure). The driving mechanism for this structural change is discussed in terms of a charge transfer from the lithium to the host and in terms of the respective energy-band diagrams for 2H and 1T polytypes. Intercalation-induced reversals in the relative stability of trigonal–prismatic and octahedral phases may also be expected in other semiconducting hosts.