Expanded theory of H-and J-molecular aggregates: the effects of vibronic coupling and intermolecular charge transfer
NJ Hestand, FC Spano - Chemical reviews, 2018 - ACS Publications
The electronic excited states of molecular aggregates and their photophysical signatures
have long fascinated spectroscopists and theoreticians alike since the advent of Frenkel …
have long fascinated spectroscopists and theoreticians alike since the advent of Frenkel …
[HTML][HTML] Interference between Coulombic and CT-mediated couplings in molecular aggregates: H-to J-aggregate transformation in perylene-based π-stacks
NJ Hestand, FC Spano - The Journal of chemical physics, 2015 - pubs.aip.org
The spectroscopic differences between J and H-aggregates are traditionally attributed to the
spatial dependence of the Coulombic coupling, as originally proposed by Kasha. However …
spatial dependence of the Coulombic coupling, as originally proposed by Kasha. However …
The nature of singlet excitons in oligoacene molecular crystals
H Yamagata, J Norton, E Hontz, Y Olivier… - The Journal of …, 2011 - pubs.aip.org
A theory for polarized absorption in crystalline oligoacenes is presented, which includes
Frenkel exciton coupling, the coupling between Frenkel and charge-transfer (CT) excitons …
Frenkel exciton coupling, the coupling between Frenkel and charge-transfer (CT) excitons …
[HTML][HTML] Optical microcavities enhance the exciton coherence length and eliminate vibronic coupling in J-aggregates
FC Spano - The Journal of Chemical Physics, 2015 - pubs.aip.org
The properties of polaritons in J-aggregate microcavities are explored using a Hamiltonian
which treats exciton-vibrational coupling and exciton-photon coupling on equal footing …
which treats exciton-vibrational coupling and exciton-photon coupling on equal footing …
Extended-charge-transfer excitons in crystalline supramolecular photocatalytic scaffolds
NJ Hestand, RV Kazantsev… - Journal of the …, 2016 - ACS Publications
Coupling among chromophores in molecular assemblies is responsible for phenomena
such as resonant energy transfer and intermolecular charge transfer. These processes are …
such as resonant energy transfer and intermolecular charge transfer. These processes are …
Polarized absorption in crystalline pentacene: theory vs experiment
NJ Hestand, H Yamagata, B Xu, D Sun… - The Journal of …, 2015 - ACS Publications
The polarized absorption spectra of crystalline pentacene are obtained for excitation normal
to the ab herringbone plane by measuring transmitted light in ultrathin crystals. The spectral …
to the ab herringbone plane by measuring transmitted light in ultrathin crystals. The spectral …
Polaron delocalization in conjugated polymer films
A theory describing the spatial coherence length of polarons in disordered conjugated
polymer films is presented, revealing a simple relationship between oscillator strength of the …
polymer films is presented, revealing a simple relationship between oscillator strength of the …
Connecting the dots for fundamental understanding of structure–photophysics–property relationships of COFs, MOFs, and perovskites using a Multiparticle Holstein …
Photoactive organic and hybrid organic–inorganic materials such as conjugated polymers,
covalent organic frameworks (COFs), metal–organic frameworks (MOFs), and layered …
covalent organic frameworks (COFs), metal–organic frameworks (MOFs), and layered …
Vibronic coupling in quantum wires: applications to polydiacetylene
H Yamagata, FC Spano - The Journal of chemical physics, 2011 - pubs.aip.org
A theory describing vibronic coupling in direct band gap, one-dimensional semiconductors
is developed to account for the photophysical properties of isolated, defect-free conjugated …
is developed to account for the photophysical properties of isolated, defect-free conjugated …
New insights on the nature of two-dimensional polarons in semiconducting polymers: Infrared absorption in poly (3-hexylthiophene)
CM Pochas, FC Spano - The Journal of chemical physics, 2014 - pubs.aip.org
Infrared absorption of positively charged polarons in conjugated polymer chains and π-
stacked aggregates is investigated theoretically, employing a Holstein-based Hamiltonian …
stacked aggregates is investigated theoretically, employing a Holstein-based Hamiltonian …