Publications

Publications by year (generated from BibTeX). More up-to-date information may be available at Google Scholar.

2023

• Confinement and Exciton Binding Energy Effects on Hot Carrier Cooling in Lead Halide Perovskite Nanomaterials
  Carwithen, Ben P., Hopper, Thomas R., Ge, Ziyuan, Mondal, Navendu, Wang, Tong, Mazlumian, Rozana, Zheng, Xijia, Krieg, Franziska, Montanarella, Federico, Nedelcu, Georgian, Kroll, Martin, Siguan, Miguel Albaladejo, Frost, Jarvist M., Leo, Karl, Vaynzof, Yana, Bodnarchuk, Maryna I., Kovalenko, Maksym V., Bakulin, Artem A. · ACS Nano 17 (7) , 6638--6648 (2023)
  doi:10.1021/acsnano.2c12373
• Multiple Phonon Modes in Feynman Path-Integral Variational Polaron Mobility
  Martin, Bradley A. A., Frost, Jarvist Moore · Physical Review B 107 (11) , 115203 (2023)
  doi:10.1103/PhysRevB.107.115203
• Controlling Swelling in Mixed Transport Polymers through Alkyl Side-Chain Physical Cross-Linking
  Siemons, Nicholas, Pearce, Drew, Yu, Hang, Tuladhar, Sachetan M., LeCroy, Garrett S., Sheelamanthula, Rajendar, Hallani, Rawad K., Salleo, Alberto, McCulloch, Iain, Giovannitti, Alexander, Frost, Jarvist M., Nelson, Jenny · Proceedings of the National Academy of Sciences 120 (35) , e2306272120 (2023)
  doi:10.1073/pnas.2306272120
• Stable Mott Polaron State Limits the Charge Density in Lead Halide Perovskites
  Zhang, Heng, Debroye, Elke, Vina-Bausa, Beatriz, Valli, Donato, Fu, Shuai, Zheng, Wenhao, Di Virgilio, Lucia, Gao, Lei, Frost, Jarvist M., Walsh, Aron, Hofkens, Johan, Wang, Hai I., Bonn, Mischa · ACS Energy Letters 8 (1) , 420--428 (2023)
  doi:10.1021/acsenergylett.2c01949
• Roadmap on Photovoltaic Absorber Materials for Sustainable Energy Conversion
  Blakesley, James C., Bonilla, Ruy S., Freitag, Marina, Ganose, Alex M., Gasparini, Nicola, Kaienburg, Pascal, Koutsourakis, George, Major, Jonathan D., Nelson, Jenny, Noel, Nakita K., Roose, Bart, Yun, Jae Sung, Aliwell, Simon, Altermatt, Pietro P., Ameri, Tayebeh, Andrei, Virgil, Armin, Ardalan, Bagnis, Diego, Baker, Jenny, Beath, Hamish, Bellanger, Mathieu, Berrouard, Philippe, Blumberger, Jochen, Boden, Stuart A., Bronstein, Hugo, Carnie, Matthew J., Case, Chris, Castro, Fernando A., Chang, Yi-Ming, Chao, Elmer, Clarke, Tracey M., Cooke, Graeme, Docampo, Pablo, Durose, Ken, Durrant, James R., Filip, Marina R., Friend, Richard H., Frost, Jarvist M., Gibson, Elizabeth A., Gillett, Alexander J., Goddard, Pooja, Habisreutinger, Severin N., Heeney, Martin, Hendsbee, Arthur D., Hirst, Louise C., Islam, M. Saiful, Jayawardena, K. D. G. Imalka, Johnston, Michael B., Kauer, Matthias, Kettle, Jeff, Kim, Ji-Seon, Lamb, Dan, Lidzey, David, Lim, Jihoo, MacKenzie, Roderick, Mason, Nigel, McCulloch, Iain, McKenna, Keith P., Meier, Sebastian B., Meredith, Paul, Morse, Graham, Murphy, John D., Nicklin, Chris, Ortega-Arriaga, Paloma, Osterberg, Thomas, Patel, Jay B., Peaker, Anthony, Riede, Moritz, Rush, Martyn, Ryan, James W., Scanlon, David O., Skabara, Peter J., So, Franky, Snaith, Henry J., Steier, Ludmilla, Thiesbrummel, Jarla, Troisi, Alessandro, Underwood, Craig, Walzer, Karsten, Watson, Trystan, Walls, J. Michael, Walsh, Aron, Whalley, Lucy D., Winchester, Benedict, Stranks, Samuel D., Hoye, Robert L. Z. · arXiv (arXiv:2310.19430) (2023)
  doi:10.48550/arXiv.2310.19430

2022

• Impact of Side Chain Hydrophilicity on Packing, Swelling and Ion Interactions in Oxy-bithiophene Semiconductors
  Siemons, Nicholas, Pearce, Drew, Cendra, Camila, Yu, Hang, Tuladhar, Sachetan M., Hallani, Rawad K., Sheelamanthula, Rajendar, LeCroy, Garrett S., Siemons, Lucas, White, Andrew J. P., Mcculloch, Iain, Salleo, Alberto, Frost, Jarvist M., Giovannitti, Alexander, Nelson, Jenny · arXiv (2022)
  link
• Multiple phonon modes in Feynman path-integral variational polaron mobility
  Martin, Bradley A. A., Frost, Jarvist Moore · arXiv (2022)
  link
• The Role of Long‐Alkyl‐Group Spacers in Glycolated Copolymers for High‐Performance Organic Electrochemical Transistors
  Tan, Ellasia, Kim, Jingwan, Stewart, Katherine, Pitsalidis, Charalampos, Kwon, Sooncheol, Siemons, Nicholas, Kim, Jehan, Jiang, Yifei, Frost, Jarvist M., Pearce, Drew, Tyrrell, James E., Nelson, Jenny, Owens, Roisin M., Kim, Yun‐Hi, Kim, Ji‐Seon · Advanced Materials , 2202574 (2022)
  doi:10.1002/adma.202202574
• High Power Irradiance Dependence of Charge Species Dynamics in Hybrid Perovskites and Kinetic Evidence for Transient Vibrational Stark Effect in Formamidinium
  Rakowski, Rafal, Fisher, William, Calbo, Joaquín, Mokhtar, Muhamad Z., Liang, Xinxing, Ding, Dong, Frost, Jarvist M., Haque, Saif A., Walsh, Aron, Barnes, Piers R. F., Nelson, Jenny, van Thor, Jasper J. · Nanomaterials 12 (10) , 1616 (2022)
  doi:10.3390/nano12101616
• Predicting Polaron Mobility in Organic Semiconductors with the Feynman Variational Approach
  Martin, Bradley A. A., Frost, Jarvist Moore · arXiv (arXiv:2207.06846) (2022)
  doi:10.48550/arXiv.2207.06846
• The Effect of Glycol Side Chains on the Assembly and Microstructure of Conjugated Polymers
  Moro, Stefania, Siemons, Nicholas, Drury, Oscar, Warr, Daniel A., Moriarty, Thomas A., Perdig\~ao, Luís M. A., Pearce, Drew, Moser, Maximilian, Hallani, Rawad K., Parker, Joseph, McCulloch, Iain, Frost, Jarvist M., Nelson, Jenny, Costantini, Giovanni · ACS Nano 16 (12) , 21303--21314 (2022)
  doi:10.1021/acsnano.2c09464
• Impact of Side-Chain Hydrophilicity on Packing, Swelling, and Ion Interactions in Oxy-Bithiophene Semiconductors
  Siemons, Nicholas, Pearce, Drew, Cendra, Camila, Yu, Hang, Tuladhar, Sachetan M., Hallani, Rawad K., Sheelamanthula, Rajendar, LeCroy, Garrett S., Siemons, Lucas, White, Andrew J. P., McCulloch, Iain, Salleo, Alberto, Frost, Jarvist M., Giovannitti, Alexander, Nelson, Jenny · Advanced Materials 34 (39) , 2204258 (2022)
  doi:10.1002/adma.202204258

2021

• Multipulse Terahertz Spectroscopy Unveils Hot Polaron Photoconductivity Dynamics in Metal-Halide Perovskites
  Zheng, Xijia, Hopper, Thomas R., Gorodetsky, Andrei, Maimaris, Marios, Xu, Weidong, Martin, Bradley A. A., Frost, Jarvist M., Bakulin, Artem A. · The Journal of Physical Chemistry Letters 12 (36) , 8732--8739 (2021)
  doi:10.1021/acs.jpclett.1c02102
• Fröhlich polaron effective mass and localization length in cubic materials: Degenerate and anisotropic electronic bands
  Bogdan Guster, Pedro Melo, Bradley A. A. Martin, Véronique Brousseau-Couture, Joao C. de Abreu, Anna Miglio, Matteo Giantomassi, Michel C\^oté, Jarvist M. Frost, Matthieu J. Verstraete, Xavier Gonze · Physical Review B 104 (23) (2021)
  doi:10.1103/physrevb.104.235123
• Giant Huang–Rhys Factor for Electron Capture by the Iodine Intersitial in Perovskite Solar Cells
  Whalley, Lucy D., van Gerwen, Puck, Frost, Jarvist M., Kim, Sunghyun, Hood, Samantha N., Walsh, Aron · Journal of the American Chemical Society 143 (24) , 9123--9128 (2021)
  doi:10.1021/jacs.1c03064
• Accelerated Hot-Carrier Cooling in MAPbI3 Perovskite by Pressure-Induced Lattice Compression
  Muscarella, Loreta A., Hutter, Eline M., Frost, Jarvist M., Grimaldi, Gianluca G., Versluis, Jan, Bakker, Huib J., Ehrler, Bruno · The Journal of Physical Chemistry Letters 12 (17) , 4118--4124 (2021)
  doi:10.1021/acs.jpclett.1c00676

2020

• Assessment of dynamic structural instabilities across 24 cubic inorganic halide perovskites
  Ruo Xi Yang, Jonathan M. Skelton, Estelina L. da Silva, Jarvist M. Frost, Aron Walsh · The Journal of Chemical Physics 152 (2) , 024703 (2020)
  doi:10.1063/1.5131575

2019

• Atomistic insights into the order\textendashdisorder transition in Cu2ZnSnS4 solar cells from Monte Carlo simulations
  Suzanne K. Wallace, Jarvist Moore Frost, Aron Walsh · Journal of Materials Chemistry A 7 (1) , 312--321 (2019)
  doi:10.1039/c8ta04812f
• Dielectric and ferroic properties of metal halide perovskites
  Jacob N. Wilson, Jarvist M. Frost, Suzanne K. Wallace, Aron Walsh · APL Materials 7 (1) , 010901 (2019)
  doi:10.1063/1.5079633
• Impact of nonparabolic electronic band structure on the optical and transport properties of photovoltaic materials
  Lucy D. Whalley, Jarvist M. Frost, Benjamin J. Morgan, Aron Walsh · Physical Review B 99 (8) (2019)
  doi:10.1103/physrevb.99.085207
• Relating Chain Conformation to the Density of States and Charge Transport in Conjugated Polymers: The Role of the $\beta$ -phase in Poly(9, 9-dioctylfluorene)
  Xingyuan Shi, Vojtech Náda\vzdy, Aleksandr Perevedentsev, Jarvist M. Frost, Xuhua Wang, Elizabeth von Hauff, Roderick C.\hspace0.167emI. MacKenzie, Jenny Nelson · Physical Review X 9 (2) (2019)
  doi:10.1103/physrevx.9.021038
• Sparse hierarchical representation learning on molecular graphs
  Matthias Bal, Hagen Triendl, Mariana Assmann, Michael Craig, Lawrence Phillips, Jarvist Moore Frost, Usman Bashir, Noor Shaker, Vid Stojevic · Accepted as a DLG 2019 workshop paper at KDD 2019 (2019)
  
• Descriptors for Electron and Hole Charge Carriers in Metal Oxides
  Daniel W. Davies, Christopher N. Savory, Jarvist M. Frost, David O. Scanlon, Benjamin J. Morgan, Aron Walsh · The Journal of Physical Chemistry Letters (2019)
  doi:10.1021/acs.jpclett.9b03398

2018

• PolaronMobility.jl: Implementation of the Feynman variational polaron model
  Jarvist Moore Frost · Journal of Open Source Software 3 (28) , 566 (2018)
  doi:10.21105/joss.00566
• Highly Luminescent Encapsulated Narrow Bandgap Polymers Based on Diketopyrrolopyrrole
  Leventis, Anastasia, Royakkers, Jeroen, Rapidis, Alexandros G, Goodeal, Niall, Corpinot, Merina K, Frost, Jarvist M, Bucar, Dejan-Kresimir, Blunt, Matthew Oliver, Cacialli, Franco, Bronstein, Hugo · Journal of the American Chemical Society 140 (5) , 1622--1626 (2018)
  
• Acoustic phonon lifetimes limit thermal transport in methylammonium lead iodide
  Aryeh Gold-Parker, Peter M. Gehring, Jonathan M. Skelton, Ian C. Smith, Dan Parshall, Jarvist M. Frost, Hemamala I. Karunadasa, Aron Walsh, Michael F. Toney · Proceedings of the National Academy of Sciences 115 (47) , 11905--11910 (2018)
  doi:10.1073/pnas.1812227115
• Dynamic symmetry breaking and spin splitting in metal halide perovskites
  Scott McKechnie, Jarvist M. Frost, Dimitar Pashov, Pooya Azarhoosh, Aron Walsh, Mark van Schilfgaarde · Physical Review B 98 (8) (2018)
  doi:10.1103/physrevb.98.085108
• Ultrafast Intraband Spectroscopy of Hot-Carrier Cooling in Lead-Halide Perovskites
  Thomas R. Hopper, Andrei Gorodetsky, Jarvist M. Frost, Christian Müller, Robert Lovrincic, Artem A. Bakulin · ACS Energy Letters 3 (9) , 2199--2205 (2018)
  doi:10.1021/acsenergylett.8b01227
• Rotational Cation Dynamics in Metal Halide Perovskites: Effect on Phonons and Material Properties
  Nathaniel P. Gallop, Oleg Selig, Giulia Giubertoni, Huib J. Bakker, Yves L. A. Rezus, Jarvist M. Frost, Thomas L. C. Jansen, Robert Lovrincic, Artem A. Bakulin · The Journal of Physical Chemistry Letters , 5987--5997 (2018)
  doi:10.1021/acs.jpclett.8b02227
• Polaron States in Fullerene Adducts Modeled by Coarse-Grained Molecular Dynamics and Tight Binding
  Beth Rice, Anne A. Y. Guilbert, Jarvist M. Frost, Jenny Nelson · The Journal of Physical Chemistry Letters 9 (22) , 6616--6623 (2018)
  doi:10.1021/acs.jpclett.8b02320

2017

• Organic cation rotation and immobilization in pure and mixed methylammonium lead-halide perovskites
  Selig, Oleg, Sadhanala, Aditya, Müller, Christian, Lovrincic, Robert, Chen, Zhuoying, Rezus, Yves LA, Frost, Jarvist M, Jansen, Thomas LC, Bakulin, Artem A · Journal of the American Chemical Society 139 (11) , 4068--4074 (2017)
  
• Perspective: Theory and simulation of hybrid halide perovskites
  Whalley, Lucy D, Frost, Jarvist M, Jung, Young-Kwang, Walsh, Aron · The Journal of chemical physics 146 (22) , 220901 (2017)
  
• Synthesis and Exciton Dynamics of Donor-Orthogonal Acceptor Conjugated Polymers: Reducing the Singlet–Triplet Energy Gap
  Freeman, David ME, Musser, Andrew J, Frost, Jarvist M, Stern, Hannah L, Forster, Alexander K, Fallon, Kealan J, Rapidis, Alexandros G, Cacialli, Franco, McCulloch, Iain, Clarke, Tracey M, others · Journal of the American Chemical Society 139 (32) , 11073--11080 (2017)
  
• Spontaneous Octahedral Tilting in the Cubic Inorganic Cesium Halide Perovskites CsSnX3 and CsPbX3 (X= F, Cl, Br, I)
  Yang, Ruo Xi, Skelton, Jonathan M, Da Silva, E Lora, Frost, Jarvist M, Walsh, Aron · The journal of physical chemistry letters 8 (19) , 4720--4726 (2017)
  
• Slow cooling of hot polarons in halide perovskite solar cells
  Frost, Jarvist Moore, Whalley, Lucy D, Walsh, Aron · ACS energy letters 2 (12) , 2647--2652 (2017)
  
• Emergent properties of an organic semiconductor driven by its molecular chirality
  Yang, Ying, Rice, Beth, Shi, Xingyuan, Brandt, Jochen R, Correa da Costa, Rosenildo, Hedley, Gordon J, Smilgies, Detlef-M, Frost, Jarvist M, Samuel, Ifor DW, Otero-De-La-Roza, Alberto, others · ACS nano 11 (8) , 8329--8338 (2017)
  
• Calculating polaron mobility in halide perovskites
  Frost, Jarvist Moore · Physical Review B 96 (19) , 195202 (2017)
  doi:10.1103/PhysRevB.96.195202

2016

• What is moving in hybrid halide perovskite solar cells?
  Frost, Jarvist M, Walsh, Aron · Accounts of chemical research 49 (3) , 528--535 (2016)
  
• Computational materials design of crystalline solids
  Butler, Keith T, Frost, Jarvist M, Skelton, Jonathan M, Svane, Katrine L, Walsh, Aron · Chemical Society Reviews (2016)
  
• Research Update: Relativistic origin of slow electron-hole recombination in hybrid halide perovskite solar cells
  Pooya Azarhoosh, Scott McKechnie, Jarvist M. Frost, Aron Walsh, Mark van Schilfgaarde · APL Materials 4 (9) , 091501 (2016)
  doi:10.1063/1.4955028
• Dynamic disorder, phonon lifetimes, and the assignment of modes to the vibrational spectra of methylammonium lead halide perovskites
  Aurélien M. A. Leguy, Alejandro R. Go\~ni, Jarvist M. Frost, Jonathan Skelton, Federico Brivio, Xabier Rodr\'\iguez-Mart\'\inez, Oliver J. Weber, Anuradha Pallipurath, M. Isabel Alonso, Mariano Campoy-Quiles, Mark T. Weller, Jenny Nelson, Aron Walsh, Piers R. F. Barnes · Physical Chemistry Chemical Physics 18 (39) , 27051--27066 (2016)
  doi:10.1039/c6cp03474h
• Molecular Motion and Dynamic Crystal Structures of Hybrid Halide Perovskites
  Frost, Jarvist M, Walsh, Aron · Organic-Inorganic Halide Perovskite Photovoltaics , 1--17 (2016)
  
• Phonon anharmonicity, lifetimes, and thermal transport in CH 3 NH 3 PbI 3 from many-body perturbation theory
  Whalley, Lucy D, Skelton, Jonathan M, Frost, Jarvist M, Walsh, Aron · Physical Review B 94 (22) , 220301 (2016)
  
• Direct Observation of Dynamic Symmetry Breaking above Room Temperature in Methylammonium Lead Iodide Perovskite
  Beecher, Alexander N, Semonin, Octavi E, Skelton, Jonathan M, Frost, Jarvist M, Terban, Maxwell W, Zhai, Haowei, Alatas, Ahmet, Owen, Jonathan S, Walsh, Aron, Billinge, Simon JL · ACS Energy Letters 1 (4) , 880--887 (2016)
  
• Computational Screening of All Stoichiometric Inorganic Materials
  Davies, Daniel W, Butler, Keith T, Jackson, Adam J, Morris, Andrew, Frost, Jarvist M, Skelton, Jonathan M, Walsh, Aron · Chem 1 (4) , 617--627 (2016)
  
• A photon ratchet route to high-efficiency hybrid halide perovskite intermediate band solar cells
  Frost, Jarvist M, Azarhoosh, Pooya, McKechnie, Scott, van Schilfgaarde, Mark, Walsh, Aron · arXiv preprint arXiv:1611.09786 (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
  Butler, Keith T, Frost, Jarvist M, Walsh, Aron · Materials Horizons 2 (2) , 228--231 (2015)
  
• Distinguishing the influence of structural and energetic disorder on electron transport in fullerene multi-adducts
  Steiner, Florian, Foster, Samuel, Losquin, Arthur, Labram, John, Anthopoulos, Thomas D, Frost, Jarvist M, Nelson, Jenny · Materials Horizons 2 (1) , 113--119 (2015)
  
• Models of charge pair generation in organic solar cells
  Few, Sheridan, Frost, Jarvist M, Nelson, Jenny · Physical Chemistry Chemical Physics 17 (4) , 2311--2325 (2015)
  
• Ferroelectric materials for solar energy conversion: photoferroics revisited
  Butler, Keith T, Frost, Jarvist M, Walsh, Aron · Energy & Environmental Science 8 (3) , 838--848 (2015)
  
• Influence of a nearby substrate on the reorganization energy of hole exchange between dye molecules
  Manke, Fabian, Frost, Jarvist M, Vaissier, Valérie, Nelson, Jenny, Barnes, Piers RF · Physical Chemistry Chemical Physics 17 (11) , 7345--7354 (2015)
  
• Polaron pair mediated triplet generation in polymer/fullerene blends
  Dimitrov, Stoichko D, Wheeler, Scot, Niedzialek, Dorota, Schroeder, Bob C, Utzat, Hendrik, Frost, Jarvist M, Yao, Jizhong, Gillett, Alexander, Tuladhar, Pabitra S, McCulloch, Iain, others · Nature communications 6 (2015)
  
• Modular design of SPIRO-OMeTAD analogues as hole transport materials in solar cells
  Murray, Alexander T, Frost, Jarvist M, Hendon, Christopher H, Molloy, Christopher D, Carbery, David R, Walsh, Aron · Chemical Communications 51 (43) , 8935--8938 (2015)
  
• Lattice dynamics and vibrational spectra of the orthorhombic, tetragonal, and cubic phases of methylammonium lead iodide
  Brivio, Federico, Frost, Jarvist M, Skelton, Jonathan M, Jackson, Adam J, Weber, Oliver J, Weller, Mark T, Goni, Alejandro R, Leguy, Aurélien MA, Barnes, Piers RF, Walsh, Aron · Physical Review B 92 (14) , 144308 (2015)
  
• The dynamics of methylammonium ions in hybrid organic-inorganic perovskite solar cells
  Leguy, Aurelien MA, Frost, Jarvist Moore, McMahon, Andrew P, Sakai, Victoria Garcia, Kockelmann, W, Law, ChunHung, Li, Xiaoe, Foglia, Fabrizia, Walsh, Aron, O'regan, Brian C, others · Nature communications 6 (2015)
  
• Ionic transport in hybrid lead iodide perovskite solar cells
  Eames, Christopher, Frost, Jarvist M, Barnes, Piers RF, O'regan, Brian C, Walsh, Aron, Islam, M Saiful · Nature communications 6 (2015)
  
• Cubic perovskite structure of black formamidinium lead iodide, $\alpha$-[HC (NH2) 2] PbI3, at 298 K
  Weller, Mark T, Weber, Oliver J, Frost, Jarvist M, Walsh, Aron · The Journal of Physical Chemistry Letters 6 (16) , 3209--3212 (2015)
  
• Role of microstructure in the electron–hole interaction of hybrid lead halide perovskites
  Grancini, Giulia, Kandada, Ajay Ram Srimath, Frost, Jarvist M, Barker, Alex J, De Bastiani, Michele, Gandini, Marina, Marras, Sergio, Lanzani, Guglielmo, Walsh, Aron, Petrozza, Annamaria · Nature photonics 9 (10) , 695--701 (2015)
  
• Real-time observation of organic cation reorientation in methylammonium lead iodide perovskites
  Bakulin, Artem A, Selig, Oleg, Bakker, Huib J, Rezus, Yves LA, Mu ller, Christian, Glaser, Tobias, Lovrincic, Robert, Sun, Zhenhua, Chen, Zhuoying, Walsh, Aron, others · The journal of physical chemistry letters 6 (18) , 3663--3669 (2015)
  
• Influence of Intermolecular Interactions on the Reorganization Energy of Charge Transfer between Surface-Attached Dye Molecules
  Vaissier, Valérie, Frost, Jarvist M, Barnes, Piers RF, Nelson, Jenny · The Journal of Physical Chemistry C 119 (43) , 24337--24341 (2015)
  

2014

• Influence of bridging atom and side chains on the structure and crystallinity of cyclopentadithiophene–benzothiadiazole polymers
  Guilbert, Anne AY, Frost, Jarvist M, Agostinelli, Tiziano, Pires, Ellis, Lilliu, Samuele, Macdonald, J Emyr, Nelson, Jenny · Chemistry of Materials 26 (2) , 1226--1233 (2014)
  
• Atomistic origins of high-performance in hybrid halide perovskite solar cells
  Frost, Jarvist M, Butler, Keith T, Brivio, Federico, Hendon, Christopher H, Van Schilfgaarde, Mark, Walsh, Aron · Nano letters 14 (5) , 2584--2590 (2014)
  
• Influence of chemical structure on the charge transfer state spectrum of a polymer: fullerene complex
  Few, Sheridan, Frost, Jarvist M, Kirkpatrick, James, Nelson, Jenny · The Journal of Physical Chemistry C 118 (16) , 8253--8261 (2014)
  
• Molecular ferroelectric contributions to anomalous hysteresis in hybrid perovskite solar cells
  Frost, Jarvist M, Butler, Keith T, Walsh, Aron · Apl Materials 2 (8) , 081506 (2014)
  
• Effect of Molecular Fluctuations on Hole Diffusion within Dye Monolayers
  Vaissier, Vale rie, Mosconi, Edoardo, Moia, Davide, Pastore, Mariachiara, Frost, Jarvist M, De Angelis, Filippo, Barnes, Piers RF, Nelson, Jenny · Chemistry of Materials 26 (16) , 4731--4740 (2014)
  
• Parameter free calculation of the subgap density of states in poly (3-hexylthiophene)
  Frost, Jarvist M, Kirkpatrick, James, Kirchartz, Thomas, Nelson, Jenny · Faraday discussions 174 , 255--266 (2014)
  

2013

• Effect of fluorination on the properties of a donor–acceptor copolymer for use in photovoltaic cells and transistors
  Bronstein, Hugo, Frost, Jarvist M, Hadipour, Afshin, Kim, Youngju, Nielsen, Christian B, Ashraf, Raja Shahid, Rand, Barry P, Watkins, Scott, McCulloch, Iain · Chemistry of Materials 25 (3) , 277--285 (2013)
  
• Novel BODIPY-based conjugated polymers donors for organic photovoltaic applications
  Economopoulos, SP, Chochos, CL, Ioannidou, HA, Neophytou, M, Charilaou, C, Zissimou, GA, Frost, JM, Sachetan, T, Shahid, M, Nelson, J, others · Rsc Advances 3 (26) , 10221--10229 (2013)
  
• Controlling microstructure of pentacene derivatives by solution processing: impact of structural anisotropy on optoelectronic properties
  James, David T, Frost, Jarvist M, Wade, Jessica, Nelson, Jenny, Kim, Ji-Seon · Acs Nano 7 (9) , 7983--7991 (2013)
  
• Isostructural, deeper highest occupied molecular orbital analogues of poly (3-hexylthiophene) for high-open circuit voltage organic solar cells
  Bronstein, Hugo, Hurhangee, Michael, Fregoso, Elisa Collado, Beatrup, Daniel, Soon, Ying W, Huang, Zhenggang, Hadipour, Afshin, Tuladhar, Pabitra S, Rossbauer, Stephan, Sohn, Eun-Ho, others · Chemistry of Materials 25 (21) , 4239--4249 (2013)
  

2011

• Soluble fullerene derivatives: The effect of electronic structure on transistor performance and air stability
  Ball, James M, Bouwer, Ricardo KM, Kooistra, Floris B, Frost, Jarvist M, Qi, Yabing, Domingo, Ester Buchaca, Smith, Jeremy, de Leeuw, Dago M, Hummelen, Jan C, Nelson, Jenny, others · Journal of Applied Physics 110 (1) , 014506 (2011)
  

2010

• A numerical study of mobility in thin films of fullerene derivatives
  MacKenzie, Roderick CI, Frost, Jarvist M, Nelson, Jenny · The Journal of chemical physics 132 (6) , 064904 (2010)
  
• Energetic disorder in higher fullerene adducts: A quantum chemical and voltammetric study
  Frost, Jarvist Moore, Faist, Mark Anton, Nelson, Jenny · Advanced Materials 22 (43) , 4881--4884 (2010)
  

2009

• Modeling charge transport in organic photovoltaic materials
  Nelson, Jenny, Kwiatkowski, Joe J, Kirkpatrick, James, Frost, Jarvist M · Accounts of chemical research 42 (11) , 1768--1778 (2009)
  
• The Effect of Morphology on Electron Field-Effect Mobility in Disordered C60 Thin Films
  Kwiatkowski, Joe J, Frost, Jarvist M, Nelson, Jenny · Nano letters 9 (3) , 1085--1090 (2009)
  

2008

• Binary organic photovoltaic blends: a simple rationale for optimum compositions
  Müller, Christian, Ferenczi, Toby AM, Campoy-Quiles, Mariano, Frost, Jarvist M, Bradley, Donal DC, Smith, Paul, Stingelin-Stutzmann, Natalie, Nelson, Jenny · Advanced Materials 20 (18) , 3510--3515 (2008)
  
• Zero-point fluctuations in naphthalene and their effect on charge transport parameters
  Kwiatkowski, Joe J, Frost, Jarvist M, Kirkpatrick, James, Nelson, Jenny · The Journal of Physical Chemistry A 112 (38) , 9113--9117 (2008)
  

2007

• Predictive study of charge transport in disordered semiconducting polymers
  Athanasopoulos, Stavros, Kirkpatrick, James, Mart\'\inez, Diego, Frost, Jarvist M, Foden, Clare M, Walker, Alison B, Nelson, Jenny · Nano letters 7 (6) , 1785--1788 (2007)
  

2006

• Influence of polymer-blend morphology on charge transport and photocurrent generation in donor-acceptor polymer blends
  Frost, Jarvist M, Cheynis, Fabien, Tuladhar, Sachetan M, Nelson, Jenny · Nano letters 6 (8) , 1674--1681 (2006)