Publications | Frost research group

2023

Confinement and Exciton Binding Energy Effects on Hot Carrier Cooling in Lead Halide Perovskite Nanomaterials

Ben P. Carwithen, Thomas R. Hopper, Ziyuan Ge, and 15 more authors

ACS Nano, Apr 2023

Abs DOI

The relaxation of the above-gap (“hot”) carriers in lead halide perovskites (LHPs) is important for applications in photovoltaics and offers insights into carrier–carrier and carrier–phonon interactions. However, the role of quantum confinement in the hot carrier dynamics of nanosystems is still disputed. Here, we devise a single approach, ultrafast pump–push–probe spectroscopy, to study carrier cooling in six different size-controlled LHP nanomaterials. In cuboidal nanocrystals, we observe only a weak size effect on the cooling dynamics. In contrast, two-dimensional systems show suppression of the hot phonon bottleneck effect common in bulk perovskites. The proposed kinetic model describes the intrinsic and density-dependent cooling times accurately in all studied perovskite systems using only carrier–carrier, carrier–phonon, and excitonic coupling constants. This highlights the impact of exciton formation on carrier cooling and promotes dimensional confinement as a tool for engineering carrier–phonon and carrier–carrier interactions in LHP optoelectronic materials.
Multiple Phonon Modes in Feynman Path-Integral Variational Polaron Mobility

Bradley A. A. Martin, and Jarvist Moore Frost

Physical Review B, Mar 2023

Abs DOI

The Feynman path-integral variational approach to the polaron problem, along with the associated Feynman-Hellwarth-Iddings-Platzman (FHIP) linear-response mobility theory, provides a computationally amenable method to predict the frequency-resolved temperature-dependent charge-carrier mobility, and other experimental observables in polar semiconductors. We show that the FHIP mobility theory predicts non-Drude transport behavior, and shows remarkably good agreement with the recent diagrammatic Monte Carlo mobility simulations of Mishchenko et al. [Phys. Rev. Lett. 123, 076601 (2019)] for the abstract Fröhlich Hamiltonian. We extend this method to multiple phonon modes in the Fröhlich model action. This enables a slightly better variational solution, as inferred from the resulting energy. We carry forward this extra complexity into the mobility theory, which shows a richer structure in the frequency and temperature-dependent mobility, due to the different phonon modes activating at different energies. The method provides a computationally efficient and fully quantitative method of predicting polaron mobility and response in real materials.
Controlling Swelling in Mixed Transport Polymers through Alkyl Side-Chain Physical Cross-Linking

Nicholas Siemons, Drew Pearce, Hang Yu, and 9 more authors

Proceedings of the National Academy of Sciences, Aug 2023

Abs DOI

Semiconducting conjugated polymers bearing glycol side chains can simultaneously transport both electronic and ionic charges with high charge mobilities, making them ideal electrode materials for a range of bioelectronic devices. However, heavily glycolated conjugated polymer films have been observed to swell irreversibly when subjected to an electrochemical bias in an aqueous electrolyte. The excessive swelling can lead to the degradation of their microstructure, and subsequently reduced device performance. An effective strategy to control polymer film swelling is to copolymerize glycolated repeat units with a fraction of monomers bearing alkyl side chains, although the microscopic mechanism that constrains swelling is unknown. Here we investigate, experimentally and computationally, a series of archetypal mixed transporting copolymers with varying ratios of glycolated and alkylated repeat units. Experimentally we observe that exchanging 10% of the glycol side chains for alkyl leads to significantly reduced film swelling and an increase in electrochemical stability. Through molecular dynamics simulation of the amorphous phase of the materials, we observe the formation of polymer networks mediated by alkyl side-chain interactions. When in the presence of water, the network becomes increasingly connected, counteracting the volumetric expansion of the polymer film.
Stable Mott Polaron State Limits the Charge Density in Lead Halide Perovskites

Heng Zhang, Elke Debroye, Beatriz Vina-Bausa, and 10 more authors

ACS Energy Letters, Jan 2023

DOI
Roadmap on Photovoltaic Absorber Materials for Sustainable Energy Conversion

James C. Blakesley, Ruy S. Bonilla, Marina Freitag, and 83 more authors

Oct 2023

Abs DOI

Photovoltaics (PVs) are a critical technology for curbing growing levels of anthropogenic greenhouse gas emissions, and meeting increases in future demand for low-carbon electricity. In order to fulfil ambitions for net-zero carbon dioxide equivalent (CO\textsubscript2eq) emissions worldwide, the global cumulative capacity of solar PVs must increase by an order of magnitude from 0.9 TWp in 2021 to 8.5 TWp by 2050 according to the International Renewable Energy Agency, which is considered to be a highly conservative estimate. In 2020, the Henry Royce Institute brought together the UK PV community to discuss the critical technological and infrastructure challenges that need to be overcome to address the vast challenges in accelerating PV deployment. Herein, we examine the key developments in the global community, especially the progress made in the field since this earlier roadmap, bringing together experts primarily from the UK across the breadth of the photovoltaics community. The focus is both on the challenges in improving the efficiency, stability and levelized cost of electricity of current technologies for utility-scale PVs, as well as the fundamental questions in novel technologies that can have a significant impact on emerging markets, such as indoor PVs, space PVs, and agrivoltaics. We discuss challenges in advanced metrology and computational tools, as well as the growing synergies between PVs and solar fuels, and offer a perspective on the environmental sustainability of the PV industry. Through this roadmap, we emphasize promising pathways forward in both the short- and long-term, and for communities working on technologies across a range of maturity levels to learn from each other.

2022

Impact of Side Chain Hydrophilicity on Packing, Swelling and Ion Interactions in Oxy-bithiophene Semiconductors

Nicholas Siemons, Drew Pearce, Camila Cendra, and 12 more authors

Feb 2022

Number: arXiv:2202.00337 arXiv:2202.00337 [cond-mat]

Abs

Exchanging hydrophobic alkyl-based side chains to hydrophilic glycol-based side chains is a widely adopted method for improving mixed-transport device performance, despite the impact on solid state packing and polymer-electrolyte interactions being poorly understood. Presented here is a Molecular Dynamics (MD) force field for modelling alkoxylated and glycolated polythiophenes. The force field is validated against known packing motifs for their monomer crystals. MD simulations, coupled with X-ray Diffraction (XRD), show that alkoxylated polythiophenes will pack with a ‘tilted stack’ and straight interdigitating side chains, whilst their glycolated counterpart will pack with a ‘deflected stack’ and an s-bend side chain configuration. MD simulations reveal water penetration pathways into the alkoxylated and glycolated crystals - through the {}pi}-stack and through the lamellar stack respectively. Finally, the two distinct ways tri-ethylene glycol polymers can bind to cations are revealed, showing the formation of a meta-stable single bound state, or an energetically deep double bound state, both with a strong side chain length dependance. The minimum energy pathways for the formation of the chelates are identified, showing the physical process through which cations can bind to one or two side chains of a glycolated polythiophene, with consequences for ion transport in bithiophene semiconductors.
Multiple phonon modes in Feynman path-integral variational polaron mobility

Bradley A. A. Martin, and Jarvist Moore Frost

Mar 2022

Number: arXiv:2203.16472 arXiv:2203.16472 [cond-mat]

Abs

The Feynman path-integral variational solution to the polaron problem }cite{Feynman1955}, along with the associated FHIP linear-response mobility theory }cite{Feynman1962}, provides a computationally amenable method to predict the frequency-resolved temperature-dependent charge-carrier mobility, and other experimental observables in polar semi-conductors. We show that the FHIP mobility theory is capable of demonstrating non-Drude transport behaviour, and provides good agreement with the recent diagrammatic Monte-Carlo mobility simulations of Mishchenko et al. }cite{Mishchenko2019} for the abstract Fr}"ohlich Hamiltonian. We extend this method to multiple variational parameters in the model action, and to multiple phonon modes in the true action. This enables a slightly better variational solution, as inferred from the resulting energy. We carry forward this complexity into the mobility theory, where it enables richer structure in the frequency and temperature dependent mobility, due to the different phonon modes activating at different energies.
The Role of Long‐Alkyl‐Group Spacers in Glycolated Copolymers for High‐Performance Organic Electrochemical Transistors

Ellasia Tan, Jingwan Kim, Katherine Stewart, and 12 more authors

Advanced Materials, May 2022

DOI
High Power Irradiance Dependence of Charge Species Dynamics in Hybrid Perovskites and Kinetic Evidence for Transient Vibrational Stark Effect in Formamidinium

Rafal Rakowski, William Fisher, Joaquín Calbo, and 9 more authors

Nanomaterials, May 2022

Abs DOI

Hybrid halide perovskites materials have the potential for both photovoltaic and light-emitting devices. Relatively little has been reported on the kinetics of charge relaxation upon intense excitation. In order to evaluate the illumination power density dependence on the charge recombination mechanism, we have applied a femtosecond transient mid-IR absorption spectroscopy with strong excitation to directly measure the charge kinetics via electron absorption. The irradiance-dependent relaxation processes of the excited, photo-generated charge pairs were quantified in polycrystalline MAPbI3, MAPbBr3, and (FAPbI3)0.97(MAPbBr3)0.03 thin films that contain either methylamonium (MA) or formamidinium (FA). This report identifies the laser-generated charge species and provides the kinetics of Auger, bimolecular and excitonic decay components. The inter-band electron-hole (bimolecular) recombination was found to dominate over Auger recombination at very high pump irradiances, up to the damage threshold. The kinetic analysis further provides direct evidence for the carrier field origin of the vibrational Stark effect in a formamidinium containing perovskite material. The results suggest that radiative excitonic and bimolecular recombination in MAPbI3 at high excitation densities could support light-emitting applications.
Predicting Polaron Mobility in Organic Semiconductors with the Feynman Variational Approach

Bradley A. A. Martin, and Jarvist Moore Frost

Jul 2022

Abs DOI

We extend the Feynman variational approach to the polaron problem \cite{Feynman1955} to the Holstein (lattice) polaron. This new theory shows a discrete transition to small-polarons is observed in the Holstein model. The method can directly used in the FHIP \cite{Feynman1962} mobility theory to calculate dc mobility and complex impedance. We show that we can take matrix elements from electronic structure calculations on real materials, by modelling charge-carrier mobility in crystalline rubrene. Good agreement is found to measurement, in particular the continuous thermal transition in mobility from band-like to thermally-activated, with a minimum in mobility predicted at 140 K.
The Effect of Glycol Side Chains on the Assembly and Microstructure of Conjugated Polymers

Stefania Moro, Nicholas Siemons, Oscar Drury, and 11 more authors

ACS Nano, Dec 2022

DOI
Impact of Side-Chain Hydrophilicity on Packing, Swelling, and Ion Interactions in Oxy-Bithiophene Semiconductors

Nicholas Siemons, Drew Pearce, Camila Cendra, and 12 more authors

Advanced Materials, Sep 2022

DOI

2021

Multipulse Terahertz Spectroscopy Unveils Hot Polaron Photoconductivity Dynamics in Metal-Halide Perovskites

Xijia Zheng, Thomas R. Hopper, Andrei Gorodetsky, and 5 more authors

The Journal of Physical Chemistry Letters, Sep 2021

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Fröhlich polaron effective mass and localization length in cubic materials: Degenerate and anisotropic electronic bands

Bogdan Guster, Pedro Melo, Bradley A. A. Martin, and 8 more authors

Physical Review B, Dec 2021

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Giant Huang–Rhys Factor for Electron Capture by the Iodine Intersitial in Perovskite Solar Cells

Lucy D. Whalley, Puck Gerwen, Jarvist M. Frost, and 3 more authors

Journal of the American Chemical Society, Jun 2021

Publisher: American Chemical Society

Abs DOI

Improvement in the optoelectronic performance of halide perovskite semiconductors requires the identification and suppression of nonradiative carrier trapping processes. The iodine interstitial has been established as a deep level defect and implicated as an active recombination center. We analyze the quantum mechanics of carrier trapping. Fast and irreversible electron capture by the neutral iodine interstitial is found. The effective Huang–Rhys factor exceeds 300, indicative of the strong electron–phonon coupling that is possible in soft semiconductors. The accepting phonon mode has a frequency of 53 cm–1 and has an associated electron capture coefficient of 1 × 10–10 cm3 s–1. The inverse participation ratio is used to quantify the localization of phonon modes associated with the transition. We infer that suppression of octahedral rotations is an important factor to enhance defect tolerance.
Accelerated Hot-Carrier Cooling in MAPbI3 Perovskite by Pressure-Induced Lattice Compression

Loreta A. Muscarella, Eline M. Hutter, Jarvist M. Frost, and 4 more authors

The Journal of Physical Chemistry Letters, May 2021

Publisher: American Chemical Society

Abs DOI

Hot-carrier cooling (HCC) in metal halide perovskites above the Mott transition is significantly slower than in conventional semiconductors. This effect is commonly attributed to a hot-phonon bottleneck, but the influence of the lattice properties on the HCC behavior is poorly understood. Using pressure-dependent transient absorption spectroscopy, we find that at an excitation density below the Mott transition, pressure does not affect the HCC. On the contrary, above the Mott transition, HCC in methylammonium lead iodide is around 2–3 times faster at 0.3 GPa than at ambient pressure. Our electron–phonon coupling calculations reveal ∼2-fold stronger electron–phonon coupling for the inorganic cage mode at 0.3 GPa. However, our experiments reveal that pressure promotes faster HCC only above the Mott transition. Altogether, these findings suggest a change in the nature of excited carriers above the Mott transition threshold, providing insights into the electronic behavior of devices operating at such high charge-carrier densities.

2020

Assessment of dynamic structural instabilities across 24 cubic inorganic halide perovskites

Ruo Xi Yang, Jonathan M. Skelton, Estelina L. Silva, and 2 more authors

The Journal of Chemical Physics, Jan 2020

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2019

Atomistic insights into the order–disorder transition in Cu2ZnSnS4 solar cells from Monte Carlo simulations

Suzanne K. Wallace, Jarvist Moore Frost, and Aron Walsh

Journal of Materials Chemistry A, Jan 2019

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Dielectric and ferroic properties of metal halide perovskites

Jacob N. Wilson, Jarvist M. Frost, Suzanne K. Wallace, and 1 more author

APL Materials, Jan 2019

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Impact of nonparabolic electronic band structure on the optical and transport properties of photovoltaic materials

Lucy D. Whalley, Jarvist M. Frost, Benjamin J. Morgan, and 1 more author

Physical Review B, Feb 2019

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Relating Chain Conformation to the Density of States and Charge Transport in Conjugated Polymers: The Role of the β-phase in Poly(9, 9-dioctylfluorene)

Xingyuan Shi, Vojtech Nádaždy, Aleksandr Perevedentsev, and 5 more authors

Physical Review X, May 2019

DOI
Sparse hierarchical representation learning on molecular graphs

Matthias Bal, Hagen Triendl, Mariana Assmann, and 6 more authors

May 2019
Descriptors for Electron and Hole Charge Carriers in Metal Oxides

Daniel W. Davies, Christopher N. Savory, Jarvist M. Frost, and 3 more authors

The Journal of Physical Chemistry Letters, Dec 2019

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2018

PolaronMobility.jl: Implementation of the Feynman variational polaron model

Jarvist Moore Frost

Journal of Open Source Software, Aug 2018

DOI
Highly Luminescent Encapsulated Narrow Bandgap Polymers Based on Diketopyrrolopyrrole

Anastasia Leventis, Jeroen Royakkers, Alexandros G Rapidis, and 7 more authors

Journal of the American Chemical Society, Aug 2018
Acoustic phonon lifetimes limit thermal transport in methylammonium lead iodide

Aryeh Gold-Parker, Peter M. Gehring, Jonathan M. Skelton, and 6 more authors

Proceedings of the National Academy of Sciences, Nov 2018

DOI
Dynamic symmetry breaking and spin splitting in metal halide perovskites

Scott McKechnie, Jarvist M. Frost, Dimitar Pashov, and 3 more authors

Physical Review B, Aug 2018

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Ultrafast Intraband Spectroscopy of Hot-Carrier Cooling in Lead-Halide Perovskites

Thomas R. Hopper, Andrei Gorodetsky, Jarvist M. Frost, and 3 more authors

ACS Energy Letters, Aug 2018

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Rotational Cation Dynamics in Metal Halide Perovskites: Effect on Phonons and Material Properties

Nathaniel P. Gallop, Oleg Selig, Giulia Giubertoni, and 6 more authors

The Journal of Physical Chemistry Letters, Oct 2018

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Polaron States in Fullerene Adducts Modeled by Coarse-Grained Molecular Dynamics and Tight Binding

Beth Rice, Anne A. Y. Guilbert, Jarvist M. Frost, and 1 more author

The Journal of Physical Chemistry Letters, Nov 2018

DOI

2017

Organic cation rotation and immobilization in pure and mixed methylammonium lead-halide perovskites

Oleg Selig, Aditya Sadhanala, Christian Müller, and 6 more authors

Journal of the American Chemical Society, Nov 2017
Perspective: Theory and simulation of hybrid halide perovskites

Lucy D Whalley, Jarvist M Frost, Young-Kwang Jung, and 1 more author

The Journal of chemical physics, Nov 2017
Synthesis and Exciton Dynamics of Donor-Orthogonal Acceptor Conjugated Polymers: Reducing the Singlet–Triplet Energy Gap

David ME Freeman, Andrew J Musser, Jarvist M Frost, and 8 more authors

Journal of the American Chemical Society, Nov 2017
Spontaneous Octahedral Tilting in the Cubic Inorganic Cesium Halide Perovskites CsSnX3 and CsPbX3 (X= F, Cl, Br, I)

Ruo Xi Yang, Jonathan M Skelton, E Lora Da Silva, and 2 more authors

The journal of physical chemistry letters, Nov 2017
Slow cooling of hot polarons in halide perovskite solar cells

Jarvist Moore Frost, Lucy D Whalley, and Aron Walsh

ACS energy letters, Nov 2017
Emergent properties of an organic semiconductor driven by its molecular chirality

Ying Yang, Beth Rice, Xingyuan Shi, and 8 more authors

ACS nano, Nov 2017
Calculating polaron mobility in halide perovskites

Jarvist Moore Frost

Physical Review B, Nov 2017

DOI

2016

What is moving in hybrid halide perovskite solar cells?

Jarvist M Frost, and Aron Walsh

Accounts of chemical research, Nov 2016
Computational materials design of crystalline solids

Keith T Butler, Jarvist M Frost, Jonathan M Skelton, and 2 more authors

Chemical Society Reviews, Nov 2016
Research Update: Relativistic origin of slow electron-hole recombination in hybrid halide perovskite solar cells

Pooya Azarhoosh, Scott McKechnie, Jarvist M. Frost, and 2 more authors

APL Materials, Sep 2016

DOI
Dynamic disorder, phonon lifetimes, and the assignment of modes to the vibrational spectra of methylammonium lead halide perovskites

Aurélien M. A. Leguy, Alejandro R. Goñi, Jarvist M. Frost, and 11 more authors

Physical Chemistry Chemical Physics, Sep 2016

DOI
Molecular Motion and Dynamic Crystal Structures of Hybrid Halide Perovskites

Jarvist M Frost, and Aron Walsh

In Organic-Inorganic Halide Perovskite Photovoltaics, Sep 2016
Phonon anharmonicity, lifetimes, and thermal transport in CH 3 NH 3 PbI 3 from many-body perturbation theory

Lucy D Whalley, Jonathan M Skelton, Jarvist M Frost, and 1 more author

Physical Review B, Sep 2016
Direct Observation of Dynamic Symmetry Breaking above Room Temperature in Methylammonium Lead Iodide Perovskite

Alexander N Beecher, Octavi E Semonin, Jonathan M Skelton, and 7 more authors

ACS Energy Letters, Sep 2016
Computational Screening of All Stoichiometric Inorganic Materials

Daniel W Davies, Keith T Butler, Adam J Jackson, and 4 more authors

Chem, Sep 2016
A photon ratchet route to high-efficiency hybrid halide perovskite intermediate band solar cells

Jarvist M Frost, Pooya Azarhoosh, Scott McKechnie, and 2 more authors

arXiv preprint arXiv:1611.09786, Sep 2016

2015

Band alignment of the hybrid halide perovskites CH 3 NH 3 PbCl 3, CH 3 NH 3 PbBr 3 and CH 3 NH 3 PbI 3

Keith T Butler, Jarvist M Frost, and Aron Walsh

Materials Horizons, Sep 2015
Distinguishing the influence of structural and energetic disorder on electron transport in fullerene multi-adducts

Florian Steiner, Samuel Foster, Arthur Losquin, and 4 more authors

Materials Horizons, Sep 2015
Models of charge pair generation in organic solar cells

Sheridan Few, Jarvist M Frost, and Jenny Nelson

Physical Chemistry Chemical Physics, Sep 2015
Ferroelectric materials for solar energy conversion: photoferroics revisited

Keith T Butler, Jarvist M Frost, and Aron Walsh

Energy & Environmental Science, Sep 2015
Influence of a nearby substrate on the reorganization energy of hole exchange between dye molecules

Fabian Manke, Jarvist M Frost, Valérie Vaissier, and 2 more authors

Physical Chemistry Chemical Physics, Sep 2015
Polaron pair mediated triplet generation in polymer/fullerene blends

Stoichko D Dimitrov, Scot Wheeler, Dorota Niedzialek, and 8 more authors

Nature communications, Sep 2015
Modular design of SPIRO-OMeTAD analogues as hole transport materials in solar cells

Alexander T Murray, Jarvist M Frost, Christopher H Hendon, and 3 more authors

Chemical Communications, Sep 2015
Lattice dynamics and vibrational spectra of the orthorhombic, tetragonal, and cubic phases of methylammonium lead iodide

Federico Brivio, Jarvist M Frost, Jonathan M Skelton, and 7 more authors

Physical Review B, Sep 2015
The dynamics of methylammonium ions in hybrid organic-inorganic perovskite solar cells

Aurelien MA Leguy, Jarvist Moore Frost, Andrew P McMahon, and 8 more authors

Nature communications, Sep 2015
Ionic transport in hybrid lead iodide perovskite solar cells

Christopher Eames, Jarvist M Frost, Piers RF Barnes, and 3 more authors

Nature communications, Sep 2015
Cubic perovskite structure of black formamidinium lead iodide, α-[HC (NH2) 2] PbI3, at 298 K

Mark T Weller, Oliver J Weber, Jarvist M Frost, and 1 more author

The Journal of Physical Chemistry Letters, Sep 2015
Role of microstructure in the electron–hole interaction of hybrid lead halide perovskites

Giulia Grancini, Ajay Ram Srimath Kandada, Jarvist M Frost, and 7 more authors

Nature photonics, Sep 2015
Real-time observation of organic cation reorientation in methylammonium lead iodide perovskites

The journal of physical chemistry letters, Sep 2015
Influence of Intermolecular Interactions on the Reorganization Energy of Charge Transfer between Surface-Attached Dye Molecules

Valérie Vaissier, Jarvist M Frost, Piers RF Barnes, and 1 more author

The Journal of Physical Chemistry C, Sep 2015

2014

Influence of bridging atom and side chains on the structure and crystallinity of cyclopentadithiophene–benzothiadiazole polymers

Anne AY Guilbert, Jarvist M Frost, Tiziano Agostinelli, and 4 more authors

Chemistry of Materials, Sep 2014
Atomistic origins of high-performance in hybrid halide perovskite solar cells

Jarvist M Frost, Keith T Butler, Federico Brivio, and 3 more authors

Nano letters, Sep 2014
Influence of chemical structure on the charge transfer state spectrum of a polymer: fullerene complex

Sheridan Few, Jarvist M Frost, James Kirkpatrick, and 1 more author

The Journal of Physical Chemistry C, Sep 2014
Molecular ferroelectric contributions to anomalous hysteresis in hybrid perovskite solar cells

Jarvist M Frost, Keith T Butler, and Aron Walsh

Apl Materials, Sep 2014
Effect of Molecular Fluctuations on Hole Diffusion within Dye Monolayers

Vale rie Vaissier, Edoardo Mosconi, Davide Moia, and 5 more authors

Chemistry of Materials, Sep 2014
Parameter free calculation of the subgap density of states in poly (3-hexylthiophene)

Jarvist M Frost, James Kirkpatrick, Thomas Kirchartz, and 1 more author

Faraday discussions, Sep 2014

2013

Effect of fluorination on the properties of a donor–acceptor copolymer for use in photovoltaic cells and transistors

Hugo Bronstein, Jarvist M Frost, Afshin Hadipour, and 6 more authors

Chemistry of Materials, Sep 2013
Novel BODIPY-based conjugated polymers donors for organic photovoltaic applications

SP Economopoulos, CL Chochos, HA Ioannidou, and 8 more authors

Rsc Advances, Sep 2013
Controlling microstructure of pentacene derivatives by solution processing: impact of structural anisotropy on optoelectronic properties

David T James, Jarvist M Frost, Jessica Wade, and 2 more authors

Acs Nano, Sep 2013
Isostructural, deeper highest occupied molecular orbital analogues of poly (3-hexylthiophene) for high-open circuit voltage organic solar cells

Hugo Bronstein, Michael Hurhangee, Elisa Collado Fregoso, and 8 more authors

Chemistry of Materials, Sep 2013

2012

2011

Soluble fullerene derivatives: The effect of electronic structure on transistor performance and air stability

James M Ball, Ricardo KM Bouwer, Floris B Kooistra, and 8 more authors

Journal of Applied Physics, Sep 2011

2010

A numerical study of mobility in thin films of fullerene derivatives

Roderick CI MacKenzie, Jarvist M Frost, and Jenny Nelson

The Journal of chemical physics, Sep 2010
Energetic disorder in higher fullerene adducts: A quantum chemical and voltammetric study

Jarvist Moore Frost, Mark Anton Faist, and Jenny Nelson

Advanced Materials, Sep 2010

2009

Modeling charge transport in organic photovoltaic materials

Jenny Nelson, Joe J Kwiatkowski, James Kirkpatrick, and 1 more author

Accounts of chemical research, Sep 2009
The Effect of Morphology on Electron Field-Effect Mobility in Disordered C60 Thin Films

Joe J Kwiatkowski, Jarvist M Frost, and Jenny Nelson

Nano letters, Sep 2009

2008

Binary organic photovoltaic blends: a simple rationale for optimum compositions

Christian Müller, Toby AM Ferenczi, Mariano Campoy-Quiles, and 5 more authors

Advanced Materials, Sep 2008
Zero-point fluctuations in naphthalene and their effect on charge transport parameters

Joe J Kwiatkowski, Jarvist M Frost, James Kirkpatrick, and 1 more author

The Journal of Physical Chemistry A, Sep 2008

2007

Predictive study of charge transport in disordered semiconducting polymers

Stavros Athanasopoulos, James Kirkpatrick, Diego Martı́nez, and 4 more authors

Nano letters, Sep 2007

2006

Influence of polymer-blend morphology on charge transport and photocurrent generation in donor-acceptor polymer blends

Jarvist M Frost, Fabien Cheynis, Sachetan M Tuladhar, and 1 more author

Nano letters, Sep 2006