Title of article
A DFT study of hBN compared with graphite in forming alkali metal intercalation compounds
Author/Authors
Bai-Qing Dai، نويسنده , , Guiling Zhang، نويسنده ,
Issue Information
دوهفته نامه با شماره پیاپی سال 2003
Pages
4
From page
304
To page
307
Abstract
From the calculated results by B3LYP method of Density Function Theory (DFT), the difference in electron affinity between hexagonal boron nitride (hBN) and graphite, and the difference in electronic structures of their alkali metal intercalation compounds, show that it is difficult for hBN to be intercalated with metals.
Keywords
Intercalation compound , Hexagonal boron nitride , B3LYP method , Electron affinity , Electronic structure
Journal title
Materials Chemistry and Physics
Serial Year
2003
Journal title
Materials Chemistry and Physics
Record number
1061118
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