Theoretical study of heavy metal Cd, Cu, Hg, and Ni(II) adsorption on the kaolinite(0 0 1) surface

Applied Surface Science

Volumn 317, Issue , 2014, Pages 718-723

  Zhao, Jian ^a,b   He, Man Chao ^b  

^a INSTITUTE OF APPLIED PHYSICS AND COMPUTATIONAL MATHEMATICS   (China)

^b CHINA UNIVERSITY OF MINING AND TECHNOLOGY   (China)

Author keywords

Adsorption; DFT calculations; Heavy metal; Kaolinite

Indexed keywords

ADSORPTION; ATOMS; COPPER; DENSITY FUNCTIONAL THEORY; ELECTRONIC DENSITY OF STATES; HEAVY METALS; KAOLINITE; MERCURY COMPOUNDS; NICKEL COMPOUNDS; WATER POLLUTION;

ADSORPTION CAPABILITY; ADSORPTION ENERGIES; ADSORPTION STRUCTURES; DFT CALCULATION; GENERALIZED GRADIENT APPROXIMATIONS; HEAVY METAL POLLUTION; STABILITY OF SURFACES; SUPERCELL APPROACH;

CADMIUM COMPOUNDS;

EID: 84908215351     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2014.08.162     Document Type: Article

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