Works (28)
Updated: April 4th, 2024 12:51
2024 journal article
Polaron absorption in aligned conjugated polymer films: breakdown of adiabatic treatments and going beyond the conventional mid-gap state model
Materials Horizons.
Sources: ORCID, Crossref, NC State University Libraries
Added: January 19, 2024
2023 journal article
Connecting the dots for fundamental understanding of structure–photophysics–property relationships of COFs, MOFs, and perovskites using a Multiparticle Holstein Formalism
Chemical Science, 14(5), 1040–1064.
pubs.rsc.org (publisher PDF)
Sources: ORCID, Crossref, NC State University Libraries
Added: January 19, 2024
2023 journal article
Engineering Flat and Dispersive Bands in 2D Layered COFs via Interlayer Stacking and Donor–Acceptor Strategy
Chemistry of Materials, 35(16), 6235–6245.
Sources: ORCID, Crossref, NC State University Libraries
Added: January 19, 2024
2023 journal article
Multipolaron Complexes in Conducting Polymers: The Importance of Hole–Hole Repulsion in Charge Delocalization
The Journal of Physical Chemistry C, 127(13), 6414–6424.
Sources: ORCID, Crossref, NC State University Libraries
Added: January 19, 2024
2023 journal article
Observation of Weak Counterion Size Dependence of Thermoelectric Transport in Ion Exchange Doped Conducting Polymers Across a Wide Range of Conductivities
Advanced Energy Materials, 13(9).
Sources: Crossref, NC State University Libraries
Added: January 21, 2024
2022 article
The Behavior of Methane-Water Mixtures Under Elevated Pressures Using Many-Body Potentials
Robinson, V. N., Ghosh, R., Egan, C. E., Riera, M., Knight, C., Paesani, F., & Hassanali, A. (2022, March 3). [], Vol. 3.
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(OpenAlex)
Source: ORCID
Added: January 19, 2024
2022 journal article
The behavior of methane–water mixtures under elevated pressures from simulations using many-body potentials
The Journal of Chemical Physics, 156(19).
UN Sustainable Development Goal Categories
6. Clean Water and Sanitation
(OpenAlex)
Sources: Crossref, NC State University Libraries
Added: January 21, 2024
2022 journal article
Transferability of data-driven, many-body models for CO2 simulations in the vapor and liquid phases
The Journal of Chemical Physics, 156(10), 104503.
Contributors: S. Yue *, M. Riera *, * , A. Panagiotopoulos * & F. Paesani *
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Source: ORCID
Added: January 19, 2024
2021 journal article
Quantifying Polaron Mole Fractions and Interpreting Spectral Changes in Molecularly Doped Conjugated Polymers
Advanced Electronic Materials, 8(4), 2100888.
Contributors: A. Moulé *, G. Gonel*, T. Murrey *, * , J. Saska*, N. Shevchenko*, I. Denti *, A. Fergerson*
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Sources: ORCID, Crossref, NC State University Libraries
Added: January 19, 2024
2021 article
Topology-Mediated Enhanced Polaron Coherence in Covalent Organic Frameworks
Ghosh, R., & Paesani, F. (2021, July 28).
TL;DR:
It is found that intrasheet topological connectivity and π-column density can override disorder-induced deep traps and significantly enhance polaron migration by several orders of magnitude in good agreement with recent experimental observations.
(via Semantic Scholar)
Source: ORCID
Added: January 19, 2024
2021 journal article
Topology-Mediated Enhanced Polaron Coherence in Covalent Organic Frameworks
The Journal of Physical Chemistry Letters, 12(39), 9442–9448.
Contributors: * & F. Paesani *
Sources: ORCID, Crossref, NC State University Libraries
Added: January 19, 2024
2021 article
Topology-Mediated Enhanced Polaron Coherence in Covalent Organic Frameworks
Ghosh, R., & Paesani, F. (2021, July 28). ChemRxiv.
Source: ORCID
Added: January 19, 2024
2021 article
Transferability of data-driven, many-body models for CO<sub>2</sub> simulations in the vapor and liquid phases
ChemRxiv.
Contributors: S. Yue *, M. Riera *, * , A. Panagiotopoulos * & F. Paesani*
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Source: ORCID
Added: January 19, 2024
2021 journal article
Understanding Bipolarons in Conjugated Polymers Using a Multiparticle Holstein Approach
Journal of Physical Chemistry C, 125(44), 24487–24497.
Contributors: M. Qarai *, * & F. Spano *
Source: ORCID
Added: January 19, 2024
2021 journal article
Unraveling the effect of defects, domain size, and chemical doping on photophysics and charge transport in covalent organic frameworks
Chemical Science, 12(24), 8373–8384.
Contributors: * & F. Paesani *
TL;DR:
This study provides a quantitative characterization of the intricate interplay between electronic defects, domain sizes, pore volumes, chemical dopants, and three dimensional anisotropic charge migration in 2D COFs and proposes new research directions to address existing limitations and improve charge transport in COFs for applications in functional molecular electronic devices.
(via Semantic Scholar)
Sources: ORCID, Crossref, NC State University Libraries
Added: January 19, 2024
2021 article
Unraveling the effect of defects, domain size, and chemical doping on photophysics and charge transport in covalent organic frameworks
ChemRxiv.
Source: ORCID
Added: January 19, 2024
2020 article
Data-Driven Many-Body Models with Chemical Accuracy for CH<sub>4</sub>/H<sub>2</sub>O Mixtures
ChemRxiv.
Contributors: M. Riera, A. Hirales, * & F. Paesani *
TL;DR:
Analysis of structural properties calculated from molecular dynamics simulations of liquid methane and methane/water mixtures using both TTM-nrg and MB- nrg PEFs indicates that an accurate representation of short-range interactions is necessary for a quantitative description of the local solvation structure in liquid mixtures.
(via Semantic Scholar)
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Source: ORCID
Added: January 19, 2024
2020 journal article
Data-Driven Many-Body Models with Chemical Accuracy for CH<sub>4</sub>/H<sub>2</sub>O Mixtures
Journal of Physical Chemistry B, 124(49), 11207–11221.
Contributors: M. Riera *, A. Hirales*, * & F. Paesani *
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Source: ORCID
Added: January 19, 2024
2020 journal article
Excitons and Polarons in Organic Materials
Accounts of Chemical Research, 53(10), 2201–2211.
Contributors: * & F. Spano *
TL;DR:
The Holstein-based model has been highly successful in accounting for the spectral properties of molecular aggregates as well as conjugated polymers like poly(3-hexylthiophene) (P3HT) in the mid-IR and UV-vis spectral regions, with a particular emphasis on the spatial coherence length.
(via Semantic Scholar)
Source: ORCID
Added: January 19, 2024
2019 journal article
Anisotropic Polaron Delocalization in Conjugated Homopolymers and Donor-Acceptor Copolymers
Chemistry of Materials, 31(17), 7033–7045.
Contributors: * , C. Luscombe *, M. Hambsch *, S. Mannsfeld *, A. Salleo * & F. Spano *
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Source: ORCID
Added: January 19, 2024
2019 thesis
Spectroscopy of polarons in organic semiconductors: A new theoretical model
(PhD Dissertation). Temple University.
Source: NC State University Libraries
Added: February 2, 2024
2018 journal article
Spectral Signatures and Spatial Coherence of Bound and Unbound Polarons in P3HT Films: Theory Versus Experiment
Journal of Physical Chemistry C, 122(31), 18048–18060.
Contributors: * , A. Chew*, J. Onorato *, V. Pakhnyuk*, C. Luscombe *, A. Salleo *, F. Spano *
Source: ORCID
Added: January 19, 2024
2018 journal article
Unraveling the Effect of Conformational and Electronic Disorder in the Charge Transport Processes of Semiconducting Polymers
Advanced Functional Materials, 28(41), 1804142.
Contributors: A. Chew*, * , V. Pakhnyuk*, J. Onorato *, E. Davidson *, R. Segalman *, C. Luscombe *, F. Spano *, A. Salleo *
Source: ORCID
Added: January 19, 2024
2017 journal article
Sequential Doping Reveals the Importance of Amorphous Chain Rigidity in Charge Transport of Semi-Crystalline Polymers
Journal of Physical Chemistry Letters, 8(20), 4974–4980.
Contributors: A. Chew*, * , Z. Shang*, F. Spano * & A. Salleo *
TL;DR:
A combination of infrared spectroscopy and theoretical simulations shows that the dopants selectively placed in the amorphous regions in the film via sequential doping result in highly localized polarons, increasing film connectivity and hence improving the overall conductivity of the film compared with the conventional doping processes.
(via Semantic Scholar)
Source: ORCID
Added: January 19, 2024
2017 journal article
The Effects of Crystallinity on Charge Transport and the Structure of Sequentially Processed F<sub>4</sub>TCNQ-Doped Conjugated Polymer Films
Advanced Functional Materials, 27(44), 1702654.
Contributors: D. Scholes*, P. Yee *, J. Lindemuth*, H. Kang*, J. Onorato *, * , C. Luscombe *, F. Spano *, S. Tolbert *, B. Schwartz *
Source: ORCID
Added: January 19, 2024
2016 journal article
Polaron Delocalization in Conjugated Polymer Films
Journal of Physical Chemistry C, 120(21), 11394–11406.
Contributors: * , C. Pochas * & F. Spano *
Source: ORCID
Added: January 19, 2024
2015 journal article
The effect of cluster size on the optical band gap energy of Zn-based metal-organic frameworks
Dalton Transactions, 44(30), 13464–13468.
Contributors: * , A. Pedicini*, P. Rao*, K. Asha*, A. Reber * & S. Mandal *
TL;DR:
Three Metal-Organic Frameworks in which Zn metal ions form the secondary building unit, and 4,4'-sulfonyldibenzoic acid (SDB) serves as the ligand are synthesized.
(via Semantic Scholar)
Source: ORCID
Added: January 19, 2024
2014 journal article
Synthesis, structure, photocatalytic and magnetic properties of an oxo-bridged copper dimer
RSC Advances, 4(41), 21195–21200.
Contributors: * , K. Asha*, S. Pratik *, A. Datta *, R. Nath * & S. Mandal *
Source: ORCID
Added: January 19, 2024
Employment
Updated: March 9th, 2022 22:32
University of California San Diego La Jolla, CA, US
Post Doctoral Researcher
Chemistry and Biochemistry
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