Theoretical insights into the hydrated (10.4) calcite surface: Structure, energetics, and bonding relationships

Langmuir

Volumn 25, Issue 12, 2009, Pages 6813-6824

  Villegas Jiménez, Adrián ^a   Mucci, Alfonso ^a   Whitehead, Michael A ^a  

^a MCGILL UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBED WATER; ADSORPTION OF WATER; ATOMIC LAYER; CALCITE SURFACE; CLEAVAGE SURFACES; CLUSTER MODELS; DENSITY FUNCTIONAL; DENSITY-FUNCTIONAL CALCULATIONS; ELECTROKINETIC; ENERGETIC PROPERTIES; FOURIER; GRAZING INCIDENCE X-RAY DIFFRACTION STUDIES; H2O MOLECULES; HARTREE-FOCK; HYDRATION LAYERS; HYDROGEN BONDINGS; IONIC BONDING; LATTICE LAYERS; MINERAL DISSOLUTION; MODELING RESULTS; MOLECULAR ORBITAL METHOD; SURFACE LAYERS;

ATOMIC SPECTROSCOPY; ATOMS; CALCITE; CALCIUM; CARBONATE MINERALS; CHEMISORPTION; DENSITY FUNCTIONAL THEORY; DISSOLUTION; GAS ADSORPTION; HYDRATES; HYDRATION; HYDROGEN; HYDROGEN BONDS; IONIZATION OF LIQUIDS; MINERALS; MINING; MOLECULAR ORBITALS; MOLECULAR SPECTROSCOPY; MOLECULES; PHYSISORPTION; SOLUTE TRANSPORT; SURFACE RELAXATION; THREE DIMENSIONAL; X RAY PHOTOELECTRON SPECTROSCOPY;

SURFACE STRUCTURE;

EID: 66749182810     PISSN: 07437463     EISSN: None     Source Type: Journal    
DOI: 10.1021/la803652x     Document Type: Article

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