Realistic modeling of fluorescent dye-doped silica nanoparticles: A step toward the understanding of their enhanced photophysical properties

Chemistry of Materials

Volumn 23, Issue 22, 2011, Pages 5016-5023

  Pedone, Alfonso ^a   Prampolini, Giacomo ^b   Monti, Susanna ^c   Barone, Vincenzo ^b  

^a UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

^b SCUOLA NORMALE SUPERIORE   (Italy)

^c CNR   (Italy)

Author keywords

C dot; computational spectroscopy; fluorophores; molecular dynamics; silica; TD DFT

Indexed keywords

C-DOT; CLASSICAL MOLECULAR DYNAMICS; COMPUTATIONAL SPECTROSCOPY; CORE-SHELL; DYE-DOPED SILICA NANOPARTICLES; EXCITED-STATE DYNAMICS; HIGH BRIGHTNESS; INTEGRATED STRATEGY; MICROSCOPIC DYNAMICS; ORGANIC FLUOROPHORES; PHOTO-STABILITY; PHOTOPHYSICAL PROPERTIES; QUANTUM-MECHANICAL CALCULATION; REALISTIC MODEL; REALISTIC MODELING; SCREENING EFFECT; SILICA MATRIX; SILICA NANOPARTICLES; SOLVATOCHROMIC SHIFTS; SYNTHETIC PROCESS; TD-B3LYP; TD-DFT; TECHNOLOGICAL APPLICATIONS; THEORETICAL STUDY; WATER MOLECULE;

C (PROGRAMMING LANGUAGE); COMPUTATIONAL CHEMISTRY; COMPUTER SIMULATION; DYNAMICS; EXCITED STATES; FLUORESCENCE; FLUOROPHORES; LUMINANCE; MOLECULAR DYNAMICS; NANOPARTICLES; QUANTUM THEORY;

SILICA;

EID: 81255168529     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/cm202436b     Document Type: Article

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