A density functional theory study of oxygen adsorption at silver surfaces: Implications for nanotoxicity

Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)

Volumn 5102 LNCS, Issue PART 2, 2008, Pages 353-359

  Akdim, Brahim ^a   Hussain, Saber ^a   Pachter, Ruth ^a  

^a AIR FORCE RESEARCH LABORATORY   (United States)

Author keywords

Ag nanoparticles; Density functional theory; Oxygen adsorption

Indexed keywords

ADSORPTION; CHARGE TRANSFER; DYNAMICS; GAS ADSORPTION; ION EXCHANGE; MOLECULAR DYNAMICS; NONMETALS; OXYGEN; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY; SILVER; SURFACE CHARGE;

AB INITIO MOLECULAR DYNAMICS (AIMD); ADSORPTION ENERGIES; COMPUTATIONAL SCIENCES; DENSITY-FUNCTIONAL (DF); FIRST-PRINCIPLES DENSITY FUNCTIONAL THEORY; HEIDELBERG (CO); INTERNATIONAL CONFERENCES; NANOTOXICITY; OXYGEN ADSORPTION; SLAB MODELS; STRUCTURAL PARAMETERS; SUPEROXIDE;

DENSITY FUNCTIONAL THEORY;

EID: 47849091142     PISSN: 03029743     EISSN: 16113349     Source Type: Book Series    
DOI: 10.1007/978-3-540-69387-1_39     Document Type: Conference Paper

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