Molecular simulations of structures and solvation free energies of passivated gold nanoparticles in supercritical CO2

Journal of Chemical Physics

Volumn 133, Issue 9, 2010, Pages

  Yang, Zhen ^a   Yang, Xiaoning ^a   Xu, Zhijun ^a   Yang, Nannan ^a  

^a NANJING TECH UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ALKANETHIOLS; CLASSICAL MOLECULAR DYNAMICS; DENSITY DEPENDENCE; FREE ENERGY PERTURBATION; GOLD NANOPARTICLES; INTERFACIAL STRUCTURES; METAL CORE; METAL NANOPARTICLES; MOLECULAR SIMULATIONS; NANO-OBJECTS; SIMULATION RESULT; SOLVATION FREE ENERGIES; SOLVATION THERMODYNAMICS; SOLVENT MOLECULES; SOLVOPHOBIC; SPECIFIC SOLVATION; SUPERCRITICAL CO;

EFFLUENT TREATMENT; FREE ENERGY; MOLECULAR DYNAMICS; PASSIVATION; SELF ASSEMBLED MONOLAYERS; SOLVATION; SUPERCRITICAL FLUIDS;

NANOPARTICLES;

CARBON DIOXIDE; GOLD; NANOPARTICLE; THIOL DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; HALOGENATION; THERMODYNAMICS;

CARBON DIOXIDE; GOLD; HALOGENATION; MODELS, MOLECULAR; NANOPARTICLES; SULFHYDRYL COMPOUNDS; THERMODYNAMICS;

EID: 77956445598     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3469774     Document Type: Article

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