Comparative Structural, thermodynamic and electronic analyses of Zn-Al-A n- hydrotalcite-like compounds (A n-Cl -, F -, Br -, OH -, CO 3 2- or NO 3 -: An ab initio study

Applied Clay Science

Volumn 56, Issue , 2012, Pages 16-22

  Costa, Deyse G ^a   Rocha, Alexandre B ^b   Souza, Wladmir F ^c   Chiaro, Sandra Shirley X ^c   Leitão, Alexandre A ^a  

^a FEDERAL UNIVERSITY OF JUIZ DE FORA   (Brazil)

^b FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

^c PETROBRAS   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO STUDY; ANION EXCHANGE; CARBONATE ANION; FREE STATE; HYDROTALCITE-LIKE COMPOUND; HYDROXIDE LAYERS; HYDROXYL GROUPS; INTERLAYER ANIONS; INTERMOLECULAR INTERACTIONS; IONIC RADIUS; LAYERED DOUBLE HYDROXIDES; MOLECULAR PLANES; NITRATE IONS; OXYGEN ATOM; STRUCTURAL MODIFICATIONS; STRUCTURAL VARIATIONS; WATER MOLECULE;

ALUMINUM; HYDROGEN BONDS; LITHIUM COMPOUNDS; THERMODYNAMICS; ZINC;

NEGATIVE IONS;

ANION; CARBONATE GROUP; CHEMICAL BONDING; CRYSTAL STRUCTURE; HYDROXIDE; ION EXCHANGE; LAYERED MEDIUM; MOLECULAR ANALYSIS; THERMODYNAMICS;

EID: 84856068777     PISSN: 01691317     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.clay.2011.11.014     Document Type: Article

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