Structure and Electronic Properties of Transition Metal Doped Kaolinite Nanoclay

Structure and Electronic Properties of Transition Metal Doped Kaolinite Nanoclay

Abstract In this work, a series of transition metal (Cr, Mn, Fe, and Co) doped kaolinite nanoclays were investigated by density functional theory (DFT) calculations. The influence of metal doping on geometric structure and electronic structure of kaolinite was analyzed. The ferromagnetic (FM), antif...

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Bibliographic Details
Main Authors: Liangjie Fu, Huaming Yang
Format: Article
Language:English
Published: SpringerOpen 2017-06-01
Series:Nanoscale Research Letters
Subjects:
Kaolinite nanoclay
Transition metal
Doping
Electronic structure
Dispersion-corrected density functional theory
Online Access:http://link.springer.com/article/10.1186/s11671-017-2188-4

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