Orbital calculations of kaolinite surface: On Substitution of Al 3+ for Si4+ in the tetrahedral sites

Journal Wuhan University of Technology, Materials Science Edition

Volumn 22, Issue 4, 2007, Pages 661-666

  Hong, Hanlie ^a   Min, Xinmin ^b   Zhou, Yong ^a  

^a CHINA UNIVERSITY OF GEOSCIENCES   (China)

^b WUHAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Density of state; Kaolinite; Molecular orbital; M lliken charge; Quantum chemistry

Indexed keywords

ALUMINUM; DENSITY FUNCTIONAL THEORY; ELECTRONS; MOLECULAR ORBITALS; SILICON; SURFACE PROPERTIES;

DENSITY OF STATE; IONIC BONDS;

KAOLINITE;

EID: 38049184783     PISSN: 10002413     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11595-006-4661-2     Document Type: Article

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