The fluorescence of variously terminated nanodiamond particles: Quantum chemical calculations

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21460%2F10%3A00169753" target="_blank" >RIV/68407700:21460/10:00169753 - isvavai.cz</a>

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

The fluorescence of variously terminated nanodiamond particles: Quantum chemical calculations

Original language description

Nanodiamond is a novel and promising material for in vitro and in vivo imaging in living cells. In this work, we studied (using quantum chemical calculation methods) how the various surface terminations affect the conditions for the fluorescence of nitrogen-vacancy (NV) centers in nanodiamond particles. We worked with clusters containing between 35 and 86 atoms of carbon containing NV centers with different charge states of their vacancies (NV- and NV0) and with different terminations: OH, H, NH2, carbonyl, carboxyl, and hydroxyl groups. The systems under study were modeled by DFT-based calculations using the Gaussian 09 and Turbomole-5.10 program packages.

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

BM - Solid-state physics and magnetism

OECD FORD branch

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Project

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Continuities

S - Specificky vyzkum na vysokych skolach

Publication year

2010

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Physica Status Solidi A

ISSN

1862-6300

e-ISSN

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Volume of the periodical

207

Issue of the periodical within the volume

9

Country of publishing house

GB - UNITED KINGDOM

Number of pages

4

Pages from-to

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UT code for WoS article

000282766100007

EID of the result in the Scopus database

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