Photoinduced Electron Transfer in Inclusion Complexes of Carbon Nanohoops

OA Stasyuk, AA Voityuk, AJ Stasyuk… - Accounts of Chemical …, 2023 - ACS Publications
Conspectus Photoinduced electron transfer (PET) in carbon materials is a process of great
importance in light energy conversion. Carbon materials, such as fullerenes, graphene …

π‐Conjugated Nanohoops: A new generation of curved materials for organic electronics

R ROy, clement Brouillac, E Jacques… - Angewandte Chemie …, 2024 - Wiley Online Library
Nanohoops, cyclic association of π‐conjugated systems to form a hoop‐shaped molecule,
have been widely developed in the last 15 years. Beyond the synthetic challenge, the strong …

Aromaticity controls the excited-state properties of host–guest complexes of nanohoops

G George, OA Stasyuk, AA Voityuk, AJ Stasyuk, M Solà - Nanoscale, 2023 - pubs.rsc.org
π-Conjugated organic molecules have exciting applications as materials for batteries, solar
cells, light-emitting diodes, etc. Among these systems, antiaromatic compounds are of …

Theoretical design of an ultrafast supramolecular rotor composed of carbon nano-rings

Y Jiang, EJ Mattioli, M Calvaresi, Z Wang - Chemical Communications, 2020 - pubs.rsc.org
The design of molecular rotors that can rotate at ultrahigh speeds is important for the
development of artificial molecular machines. Based on theoretical calculations, we …

A step towards rational design of carbon nanobelts with tunable electronic properties

G George, OA Stasyuk, M Solà, AJ Stasyuk - Nanoscale, 2023 - pubs.rsc.org
Belt-shaped aromatic compounds are among the most attractive classes of radial π-
conjugated nanocarbon molecules with unique physical and chemical properties. In this …

γ-graphynes with extended polyyne chains for efficient photoinduced electron transfer in complexes with fullerenes

OA Stasyuk, AA Voityuk, M Solà, AJ Stasyuk - Carbon, 2023 - Elsevier
In recent years, much attention has been paid to γ-graphynes due to their high potential in
practical applications. The unique combination of sp 2–sp carbon atoms, an extended π …

Evaluation of charge-transfer rates in fullerene-based donor–acceptor dyads with different density functional approximations

P Besalú-Sala, AA Voityuk, JM Luis… - Physical Chemistry …, 2021 - pubs.rsc.org
The shift towards renewable energy is one of the main challenges of this generation. Dye-
sensitized solar cells (DSSCs), based on donor–acceptor architectures, can help in this …

A molecular Popeye: Li+@ C 60 and its complexes with [n] cycloparaphenylenes

M Freiberger, I Solymosi, EM Freiberger, A Hirsch… - Nanoscale, 2023 - pubs.rsc.org
In this work, we compare for the first time the stability of [n] cycloparaphenylene ([n] CPP)-
based host–guest complexes with Li+@ C60 and C60 in the gas and the solution phase …

Photoinduced electron transfer in [10] CPP⊃ C60 oligomers with stable and well-defined supramolecular structures

AJ Stasyuk - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
Recent synthesis of a new type of polymer containing conjugated cycloparaphenylene
(CPP) macrocycles interconnected by a linear conjugated backbone opens up great …

Density Functional Theory Studies of B/N-Doped Phenalenyl Nanorings with C60 for Tuning Second-Order Nonlinear Optical Properties

X Huang, P Gan, W Liu, F Gao, H Xu… - ACS Applied Nano …, 2023 - ACS Publications
A series of triangular nanorings, denoted B n N3–n-CPLY3 (n= 0, 1, 2, and 3), are designed
by incorporating boron-/nitrogen-doped phenalenyl (B/N-PLY) units into …