Ab initio molecular dynamics simulations of the cooperative adsorption of hydrazine and water on copper surfaces: Implications for shape control of nanoparticles

Chemistry of Materials

Volumn 23, Issue 11, 2011, Pages 2718-2728

  Daff, Thomas D ^a,b   De Leeuw, Nora H ^b  

^a UNIVERSITY OF LONDON   (United Kingdom)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

molecular crystals; Surface and interfacial phenomena; theory and modeling

Indexed keywords

AB INITIO MOLECULAR DYNAMICS SIMULATION; ADSORPTION BEHAVIOR; COMPETITIVE ADSORPTION; COPPER SURFACE; CRYSTAL SHAPES; EXPERIMENTAL EVIDENCE; GASPHASE; HYDRATION SHELL; HYDRAZINE-WATER; LOW-INDEX SURFACES; MOLECULAR DYNAMICS SIMULATIONS; REVERSE MICELLE SYNTHESIS; SELECTIVE ADSORPTION; SHAPE CONTROL; SINGLE MOLECULE; THEORY AND MODELING;

ADSORPTION; COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; HYDRAZINE; HYDROGEN BONDS; IONIC LIQUIDS; MOLECULAR CRYSTALS; NANOPARTICLES; THERMODYNAMICS;

MOLECULAR DYNAMICS;

EID: 79958801070     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/cm103164w     Document Type: Article

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