Electronic structure of transition-metal chalcogenides and their intercalation compounds
Intercalation compounds are solids where host atoms provide a structure into which guest atoms can be inserted. Generally, charge is transferred between the outer orbitals of the guest atoms and the electron bands of the host during intercalation. In the transition-metal chalcogenides, the guest gives up charge to become a positive ion, and the electrons donated by the guests enter the host band structure. Thus the electronic structure of the host should, together with the sites available for the guest ions, determine whether a given guest can be inserted, and to what extent.
KeywordsFermi Energy Intercalation Compound Antibonding Orbital Trigonal Prism Extra Electron
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