Communication of molecular fluorophores with other photoluminescence centres in carbon dots

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27740%2F23%3A10252580" target="_blank" >RIV/61989100:27740/23:10252580 - isvavai.cz</a>

Alternative codes found

RIV/61989592:15640/23:73620105

Result on the web

<a href="https://pubs.rsc.org/en/content/articlelanding/2023/NR/D2NR05114A" target="_blank" >https://pubs.rsc.org/en/content/articlelanding/2023/NR/D2NR05114A</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/d2nr05114a" target="_blank" >10.1039/d2nr05114a</a>

Result language

angličtina

Original language name

Communication of molecular fluorophores with other photoluminescence centres in carbon dots

Original language description

The establishment of structure-photoluminescence (PL) relationships remains an ultimate challenge in the field of carbon dots (CDs). It is now commonly understood that various structural domains may evolve during the preparation of CDs; nonetheless, we are still far from capturing the specific features that determine the overall PL of CDs. Although the core, surface and molecular states are usually considered the three main sources of PL, it is not known to which extent they interact and/or affect one another. Expectedly, the communication between the different PL centres depends on the mutual arrangement and the type of linking. To gain insights into such a communication, time-dependent density functional theory (TD-DFT) calculations were performed for several (N-doped/O-functionalized) polyaromatic hydrocarbons (PAHs) as representative models for the core/surfaces PL states and the prototypical molecular fluorophore (MF) 5-oxo-1,2,3,5-tetrahydroimidazo-[1,2-alpha]-pyridine-7-carboxylic acid (IPCA), considering different interaction modes, namely hydrogen bonded and stacked complexes as well as covalently bonded and fused structures. Our results revealed that each of the studied arrangements in some way supported the communication between the PL centres. The deactivation pathways typically involve multiple charge and energy transfer events that can promote the formation of charge separated states and/or lead to the activation of other PL centres in CDs. Depending on the arrangement, the doping pattern and surface functionalization, both the CD core and the MF can act as an electron donor or acceptor, which could help to design CDs with desirable hole-electron surface/core characteristics.

Czech name

—

Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10400 - Chemical sciences

Project

<a href="/en/project/EF16_019%2F0000754" target="_blank" >EF16_019/0000754: Nanotechnologies for Future</a><br>

Continuities

—

Publication year

2023

Confidentiality

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

Name of the periodical

Nanoscale

ISSN

2040-3364

e-ISSN

2040-3372

Volume of the periodical

15

Issue of the periodical within the volume

8

Country of publishing house

GB - UNITED KINGDOM

Number of pages

11

Pages from-to

4022-4032

UT code for WoS article

000924161300001

EID of the result in the Scopus database

2-s2.0-85147814548