Počet záznamů: 1

Fluorescence of variously terminated nanodiamond particles: quantum chemical calculations

  1. 1.
    0348149 - FZU-D 2011 RIV DE eng J - Článek v odborném periodiku
    Kratochvílová, Irena - Kovalenko, Alexander - Taylor, Andrew - Fendrych, František - Řezáčová, V. - Vlček, Jan - Záliš, Stanislav - Šebera, Jakub - Cígler, Petr - Ledvina, Miroslav - Nesladek, M.
    Fluorescence of variously terminated nanodiamond particles: quantum chemical calculations.
    Physica Status Solidi. A. Roč. 207, č. 9 (2010), s. 2045-2048 ISSN 1862-6300
    Grant CEP: GA ČR GA203/08/1594; GA AV ČR KAN401770651; GA AV ČR KAN200100801; GA AV ČR KAN100400702; GA ČR(CZ) GAP304/10/1951
    Výzkumný záměr: CEZ:AV0Z10100520; CEZ:AV0Z40550506; CEZ:AV0Z40400503
    Klíčová slova: nanodiamond particles, * NV centers * luminescence * DFT
    Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
    Impakt faktor: 1.458, rok: 2010

    Nanodiamond is a novel and promising material for in-vitro and in-vivo imaging in living cells. In this work we study (using quantum chemical calculation methods) how the various surface terminations affect conditions for fluorescence of Nitrogen-vacancy (NV) centers in nanodiamond particles. We worked with clusters containing from 35 to 86 atoms of carbon containing NV centers with different charge states of vacancies (NV- & NV0) and with different terminations: OH, H, NH2, carbonyl, carboxyl and hydroxyl groups. Systems under study were modelled by DFT based calculations using Gaussian 09 and Turbomole-5.10. program packages.
    Trvalý link: http://hdl.handle.net/11104/0188754