New materials from fully coordinated SiO2 nanoclusters

Computational Materials Science

Volumn 35, Issue 3, 2006, Pages 382-386

  Bromley, Stefan T ^a,b   Flikkema, Edwin ^a  

^a DELFT UNIVERSITY OF TECHNOLOGY   (Netherlands)

^b UNIVERSITY OF BARCELONA   (Spain)

Author keywords

Density functional theory; Global optimisation; Nanocluster design; Nanocluster based materials; SiO2

Indexed keywords

ADSORBENTS; CATALYSIS; COMPUTER SIMULATION; COORDINATION REACTIONS; GLOBAL OPTIMIZATION; MESOPOROUS MATERIALS; MICROELECTRONICS; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; SILICA; THIN FILMS;

DENSITY FUNCTIONAL THEORY (DFT); NANOCLUSTER DESIGN; NANOCLUSTER-BASED MATERIALS; NANOSCALE THIN FILMS;

NANOSTRUCTURED MATERIALS;

EID: 28444499279     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2004.08.018     Document Type: Conference Paper

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