Quantum chemistry of quantum dots: Effects of ligands and oxidation

Journal of Chemical Physics

Volumn 131, Issue 4, 2009, Pages

  Inerbaev, Talgat M ^a,b   Masunov, Artm E ^a   Khondaker, Saiful I ^a   Dobrinescu, Alexandra ^a,c   Plamad, Andrei Valentin ^a,c   Kawazoe, Yoshiyuki ^b  

^a UNIVERSITY OF CENTRAL FLORIDA   (United States)

^b TOHOKU UNIVERSITY   (Japan)

^c ALEXANDRU IOAN CUZA UNIVERSITY OF IASI   (Romania)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIBONDING; COLLOIDAL QUANTUM DOTS; CRITICAL PARAMETER; DENSITY FUNCTIONAL THEORY CALCULATIONS; GAUSSIAN BASIS SETS; GROUND STATE GEOMETRY; LINEAR ABSORPTION; NEAR INFRARED; OPTICAL ABSORPTION PROPERTIES; OPTICAL ABSORPTION SPECTRUM; PHOTOVOLTAIC DEVICES; QUANTUM DOT; RED-SHIFTED; SURFACE ATOMS; TIME-DEPENDENT DFT; TRIMETHYLPHOSPHINES; VACANT ORBITALS; WURTZITE STRUCTURE; WURTZITES;

ABSORPTION; ABSORPTION SPECTROSCOPY; ATOMIC SPECTROSCOPY; ATOMS; CADMIUM ALLOYS; CADMIUM COMPOUNDS; DENSITY FUNCTIONAL THEORY; LIGANDS; LIGHT ABSORPTION; LIGHT TRANSMISSION; NANOPARTICLES; OPTICAL PROPERTIES; OPTOELECTRONIC DEVICES; OXIDATION; PROBABILITY DENSITY FUNCTION; SEMICONDUCTOR QUANTUM DOTS; ZINC SULFIDE;

SURFACE RECONSTRUCTION;

EID: 68249094293     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3135193     Document Type: Article

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