Publications
2021
Moulé, Adam J.; Goktug Gonel, andTucker L. Murrey; Ghosh, Raja; Saska, Jan; Shevchenko, Nikolay E.; Denti, Ilaria; Fergerson, Alice S.; Talbot, Rachel M.; Yacoub, Nichole L.; Mascal, Mark; Salleo, Alberto; Spano, Frank C.
Quantifying Polaron Mole Fractions and Interpreting Spectral Changes in Molecularly Doped Conjugated Polymers Journal Article
In: Advanced Electronic Materials, 2021.
@article{nokey,
title = {Quantifying Polaron Mole Fractions and Interpreting Spectral Changes in Molecularly Doped Conjugated Polymers},
author = {Adam J. Moulé and Goktug Gonel, andTucker L. Murrey and Raja Ghosh and Jan Saska and Nikolay E. Shevchenko and Ilaria Denti and Alice S. Fergerson and Rachel M. Talbot and Nichole L. Yacoub and Mark Mascal and Alberto Salleo and Frank C. Spano},
doi = {https://doi.org/10.1002/aelm.202100888},
year = {2021},
date = {2021-12-28},
journal = {Advanced Electronic Materials},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Dettmann, Makena A.; Cavalcante, Lucas S. R.; Magdaleno, Corina; Masalkovaitė, Karina; Vong, Daniel; Dull, Jordan T.; Rand, Barry P.; Daemen, Luke L.; Goldman, Nir; Faller, Roland; Moulé, Adam J.
Comparing the Expense and Accuracy of Methods to Simulate Atomic Vibrations in Rubrene Journal Article
In: Journal of Chemical Theory and Computation, vol. 17, no. 12, pp. 7313-7320 , 2021.
@article{nokey,
title = {Comparing the Expense and Accuracy of Methods to Simulate Atomic Vibrations in Rubrene},
author = {Makena A. Dettmann and Lucas S. R. Cavalcante and Corina Magdaleno and Karina Masalkovaitė and Daniel Vong and Jordan T. Dull and Barry P. Rand and Luke L. Daemen and Nir Goldman and Roland Faller and Adam J. Moulé},
doi = {10.1021/acs.jctc.1c00747 },
year = {2021},
date = {2021-11-24},
urldate = {2021-11-24},
journal = {Journal of Chemical Theory and Computation},
volume = {17},
number = {12},
pages = { 7313-7320 },
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Saska, Jan; Shevchenko, Nikolay E.; Gonel, Goktug; Bedolla-Valdez, Zaira I.; Talbot, Rachel M.; Moulé, Adam J.; Mascal, Mark
Synthesis and characterization of solution processable, high electron affinity molecular dopants Journal Article
In: Journal of Materials Chemistry C, vol. 9, pp. 15990-15997, 2021.
@article{nokey,
title = {Synthesis and characterization of solution processable, high electron affinity molecular dopants},
author = { Jan Saska and Nikolay E. Shevchenko and Goktug Gonel and Zaira I. Bedolla-Valdez and Rachel M. Talbot and Adam J. Moulé and Mark Mascal},
doi = {https://doi.org/10.1039/D1TC03951B},
year = {2021},
date = {2021-10-27},
urldate = {2021-10-27},
journal = {Journal of Materials Chemistry C},
volume = {9},
pages = {15990-15997},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Jacobs, Ian E; Bedolla-Valdez, Zaira I; Rotondo, Brandon T; Bilsky, David J; Lewis, Ryan; Oviedo, Alejandra N Ayala; Gonel, Goktug; Armitage, John; Li, Jun; Moulé, Adam J
Super-Resolution Photothermal Patterning in Conductive Polymers Enabled by Thermally Activated Solubility Journal Article
In: ACS nano, vol. 15, no. 4, pp. 7006–7020, 2021.
@article{jacobs2021super,
title = {Super-Resolution Photothermal Patterning in Conductive Polymers Enabled by Thermally Activated Solubility},
author = {Ian E Jacobs and Zaira I Bedolla-Valdez and Brandon T Rotondo and David J Bilsky and Ryan Lewis and Alejandra N Ayala Oviedo and Goktug Gonel and John Armitage and Jun Li and Adam J Moulé},
doi = {https://doi.org/10.1021/acsnano.1c00070},
year = {2021},
date = {2021-01-01},
urldate = {2021-01-01},
journal = {ACS nano},
volume = {15},
number = {4},
pages = {7006--7020},
publisher = {ACS Publications},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Harrelson, Thomas F; Dettmann, Makena; Scherer, Christoph; Andrienko, Denis; Moulé, Adam J; Faller, Roland
Computing inelastic neutron scattering spectra from molecular dynamics trajectories Journal Article
In: Scientific reports, vol. 11, no. 1, pp. 1–12, 2021.
@article{harrelson2021computing,
title = {Computing inelastic neutron scattering spectra from molecular dynamics trajectories},
author = {Thomas F Harrelson and Makena Dettmann and Christoph Scherer and Denis Andrienko and Adam J Moulé and Roland Faller},
doi = {https://doi.org/10.1038/s41598-021-86771-5},
year = {2021},
date = {2021-01-01},
urldate = {2021-01-01},
journal = {Scientific reports},
volume = {11},
number = {1},
pages = {1--12},
publisher = {Nature Publishing Group},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Murrey, Tucker L; Riley, Margaret A; Gonel, Goktug; Antonio, Dexter D; Filardi, Leah; Shevchenko, Nikolay; Mascal, Mark; Moulé, Adam J
Anion Exchange Doping: Tuning Equilibrium to Increase Doping Efficiency in Semiconducting Polymers Journal Article
In: The journal of physical chemistry letters, vol. 12, no. 4, pp. 1284–1289, 2021.
@article{murrey2021anion,
title = {Anion Exchange Doping: Tuning Equilibrium to Increase Doping Efficiency in Semiconducting Polymers},
author = {Tucker L Murrey and Margaret A Riley and Goktug Gonel and Dexter D Antonio and Leah Filardi and Nikolay Shevchenko and Mark Mascal and Adam J Moulé},
doi = {https://doi.org/10.1021/acs.jpclett.0c03620},
year = {2021},
date = {2021-01-01},
urldate = {2021-01-01},
journal = {The journal of physical chemistry letters},
volume = {12},
number = {4},
pages = {1284--1289},
publisher = {ACS Publications},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Cavalcante, L S R; Daemen, Luke L; Goldman, Nir; Moulé, Adam J
Davis Computational Spectroscopy Workflow-From Structure to Spectra Journal Article
In: J Chem Inf Model, vol. 61, no. 9, pp. 4486–4496, 2021, ISSN: 1549-960X.
@article{pmid34449225,
title = {Davis Computational Spectroscopy Workflow-From Structure to Spectra},
author = {L S R Cavalcante and Luke L Daemen and Nir Goldman and Adam J Moulé},
doi = {10.1021/acs.jcim.1c00688},
issn = {1549-960X},
year = {2021},
date = {2021-01-01},
journal = {J Chem Inf Model},
volume = {61},
number = {9},
pages = {4486--4496},
abstract = {We describe an automated workflow that connects a series of atomic simulation tools to investigate the relationship between atomic structure, lattice dynamics, materials properties, and inelastic neutron scattering (INS) spectra. Starting from the atomic simulation environment (ASE) as an interface, we demonstrate the use of a selection of calculators, including density functional theory (DFT) and density functional tight binding (DFTB), to optimize the structures and calculate interatomic force constants. We present the use of our workflow to compute the phonon frequencies and eigenvectors, which are required to accurately simulate the INS spectra in crystalline solids like diamond and graphite as well as molecular solids like rubrene. We have also implemented a machine-learning force field based on Chebyshev polynomials called the Chebyshev interaction model for efficient simulation (ChIMES) to improve the accuracy of the DFTB simulations. We then explore the transferability of our DFTB/ChIMES models by comparing simulations derived from different training sets. We show that DFTB/ChIMES demonstrates ∼100× reduction in computational expense while retaining most of the accuracy of DFT as well as yielding high accuracy for different materials outside of our training sets. The DFTB/ChIMES method within the workflow expands the possibilities to use simulations to accurately predict materials properties of increasingly complex structures that would be unfeasible with methods.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
2020
Chu, Xiaolei; Heidari, Hamed; Abelson, Alex; Unruh, Davis; Hansen, Chase; Qian, Caroline; Zimanyi, Gergely; Law, Matt; Moulé, Adam J
Erratum: Structural characterization of a polycrystalline epitaxially-fused colloidal quantum dot superlattice by electron tomography (Journal of Materials Chemistry A (2020 Journal Article
In: Journal of Materials Chemistry A, vol. 8, no. 40, pp. 21339, 2020.
@article{chu2020erratum,
title = {Erratum: Structural characterization of a polycrystalline epitaxially-fused colloidal quantum dot superlattice by electron tomography (Journal of Materials Chemistry A (2020},
author = {Xiaolei Chu and Hamed Heidari and Alex Abelson and Davis Unruh and Chase Hansen and Caroline Qian and Gergely Zimanyi and Matt Law and Adam J Moulé},
year = {2020},
date = {2020-01-01},
journal = {Journal of Materials Chemistry A},
volume = {8},
number = {40},
pages = {21339},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Bedolla-Valdez, Zaira I; Xiao, Rui; Cendra, Camila; Fergerson, Alice S; Chen, Zekun; Gonel, Goktug; Salleo, Alberto; Yu, Dong; Moulé, Adam J
Reversible Doping and Photo Patterning of Polymer Nanowires Journal Article
In: Advanced Electronic Materials, vol. 6, no. 10, pp. 2000469, 2020.
@article{bedolla2020reversible,
title = {Reversible Doping and Photo Patterning of Polymer Nanowires},
author = {Zaira I Bedolla-Valdez and Rui Xiao and Camila Cendra and Alice S Fergerson and Zekun Chen and Goktug Gonel and Alberto Salleo and Dong Yu and Adam J Moulé},
year = {2020},
date = {2020-01-01},
journal = {Advanced Electronic Materials},
volume = {6},
number = {10},
pages = {2000469},
publisher = {Wiley Online Library},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Murrey, Tucker L; Hertel, Dirk; Nowak, Julian; Bruker, Ruth; Limböck, Thorsten; Neudörfl, Jörg; Rüth, Stephanie; Schelter, Jürgen; Olthof, Selina; Radulescu, Aurel; others,
Investigation of Hierarchical Structure Formation in Merocyanine Photovoltaics Journal Article
In: The Journal of Physical Chemistry C, vol. 124, no. 36, pp. 19457–19466, 2020.
@article{murrey2020investigation,
title = {Investigation of Hierarchical Structure Formation in Merocyanine Photovoltaics},
author = {Tucker L Murrey and Dirk Hertel and Julian Nowak and Ruth Bruker and Thorsten Limböck and Jörg Neudörfl and Stephanie Rüth and Jürgen Schelter and Selina Olthof and Aurel Radulescu and others},
year = {2020},
date = {2020-01-01},
journal = {The Journal of Physical Chemistry C},
volume = {124},
number = {36},
pages = {19457--19466},
publisher = {ACS Publications},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Levitsky, Artem; Matrone, Giovanni Maria; Khirbat, Aditi; Bargigia, Ilaria; Chu, Xiaolei; Nahor, Oded; Segal-Peretz, Tamar; Moulé, Adam J; Richter, Lee J; Silva, Carlos; others,
Toward fast screening of organic solar cell blends Journal Article
In: Advanced Science, vol. 7, no. 15, pp. 2000960, 2020.
@article{levitsky2020toward,
title = {Toward fast screening of organic solar cell blends},
author = {Artem Levitsky and Giovanni Maria Matrone and Aditi Khirbat and Ilaria Bargigia and Xiaolei Chu and Oded Nahor and Tamar Segal-Peretz and Adam J Moulé and Lee J Richter and Carlos Silva and others},
year = {2020},
date = {2020-01-01},
journal = {Advanced Science},
volume = {7},
number = {15},
pages = {2000960},
publisher = {Wiley Online Library},
keywords = {},
pubstate = {published},
tppubtype = {article}
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Chu, Xiaolei; Heidari, Hamed; Abelson, Alex; Unruh, Davis; Hansen, Chase; Qian, Caroline; Zimanyi, Gergely; Law, Matt; Moulé, Adam J
Structural characterization of a polycrystalline epitaxially-fused colloidal quantum dot superlattice by electron tomography Journal Article
In: Journal of Materials Chemistry A, vol. 8, no. 35, pp. 18254–18265, 2020.
@article{chu2020structural,
title = {Structural characterization of a polycrystalline epitaxially-fused colloidal quantum dot superlattice by electron tomography},
author = {Xiaolei Chu and Hamed Heidari and Alex Abelson and Davis Unruh and Chase Hansen and Caroline Qian and Gergely Zimanyi and Matt Law and Adam J Moulé},
year = {2020},
date = {2020-01-01},
journal = {Journal of Materials Chemistry A},
volume = {8},
number = {35},
pages = {18254--18265},
publisher = {The Royal Society of Chemistry},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Dantanarayana, Varuni; Nematiaram, Tahereh; Vong, Daniel; Anthony, John E; Troisi, Alessandro; Cong, Kien Nguyen; Goldman, Nir; Faller, Roland; Moulé, Adam J
Predictive Model of Charge Mobilities in Organic Semiconductor Small Molecules with Force-Matched Potentials Journal Article
In: Journal of chemical theory and computation, vol. 16, no. 6, pp. 3494–3503, 2020.
@article{dantanarayana2020predictive,
title = {Predictive Model of Charge Mobilities in Organic Semiconductor Small Molecules with Force-Matched Potentials},
author = {Varuni Dantanarayana and Tahereh Nematiaram and Daniel Vong and John E Anthony and Alessandro Troisi and Kien Nguyen Cong and Nir Goldman and Roland Faller and Adam J Moulé},
year = {2020},
date = {2020-01-01},
journal = {Journal of chemical theory and computation},
volume = {16},
number = {6},
pages = {3494--3503},
publisher = {ACS Publications},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Li, Haoyuan; Sini, Gjergji; Sit, Joseph; Moulé, Adam J; Bredas, Jean-Luc
Understanding charge transport in donor/acceptor blends from large-scale device simulations based on experimental film morphologies Journal Article
In: Energy & Environmental Science, vol. 13, no. 2, pp. 601–615, 2020.
@article{li2020understanding,
title = {Understanding charge transport in donor/acceptor blends from large-scale device simulations based on experimental film morphologies},
author = {Haoyuan Li and Gjergji Sini and Joseph Sit and Adam J Moulé and Jean-Luc Bredas},
year = {2020},
date = {2020-01-01},
journal = {Energy & Environmental Science},
volume = {13},
number = {2},
pages = {601--615},
publisher = {Royal Society of Chemistry},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
2019
Moule, Adam; Jacobs, Ian; Li, Jun; Vldez, Zaira Bedolla; Murrey, Tucker
Rapid and non-destructive optical patterning of conjugated polymers for device applications Inproceedings
In: APS March Meeting Abstracts, pp. X50–001, 2019.
@inproceedings{moule2019rapid,
title = {Rapid and non-destructive optical patterning of conjugated polymers for device applications},
author = {Adam Moule and Ian Jacobs and Jun Li and Zaira Bedolla Vldez and Tucker Murrey},
year = {2019},
date = {2019-01-01},
booktitle = {APS March Meeting Abstracts},
volume = {2019},
pages = {X50--001},
keywords = {},
pubstate = {published},
tppubtype = {inproceedings}
}
Murrey, Tucker L; Guo, Kunping; Mulvey, Justin T; Lee, Owen A; Cendra, Camila; Bedolla-Valdez, Zaira I; Salleo, Alberto; Moulin, Jean-Francois; Hong, Kunlun; Moulé, Adam J
Additive solution deposition of multi-layered semiconducting polymer films for design of sophisticated device architectures Journal Article
In: Journal of Materials Chemistry C, vol. 7, no. 4, pp. 953–960, 2019.
@article{murrey2019additive,
title = {Additive solution deposition of multi-layered semiconducting polymer films for design of sophisticated device architectures},
author = {Tucker L Murrey and Kunping Guo and Justin T Mulvey and Owen A Lee and Camila Cendra and Zaira I Bedolla-Valdez and Alberto Salleo and Jean-Francois Moulin and Kunlun Hong and Adam J Moulé},
year = {2019},
date = {2019-01-01},
journal = {Journal of Materials Chemistry C},
volume = {7},
number = {4},
pages = {953--960},
publisher = {Royal Society of Chemistry},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Li, Jun; Holm, Daniella M; Guda, Shravya; Bedolla-Valdez, Zaira I; Gonel, Goktug; Jacobs, Ian E; Dettmann, Makena A; Saska, Jan; Mascal, Mark; Moulé, Adam J
Effect of processing conditions on additive DISC patterning of P3HT films Journal Article
In: Journal of Materials Chemistry C, vol. 7, no. 2, pp. 302–313, 2019.
@article{li2019effect,
title = {Effect of processing conditions on additive DISC patterning of P3HT films},
author = {Jun Li and Daniella M Holm and Shravya Guda and Zaira I Bedolla-Valdez and Goktug Gonel and Ian E Jacobs and Makena A Dettmann and Jan Saska and Mark Mascal and Adam J Moulé},
year = {2019},
date = {2019-01-01},
journal = {Journal of Materials Chemistry C},
volume = {7},
number = {2},
pages = {302--313},
publisher = {Royal Society of Chemistry},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Su, Zhengliang; Bedolla-Valdez, Zaira I; Wang, Letian; Rho, Yoonsoo; Chen, Sunny; Gonel, Goktug; Taurone, Eric N; Moulé, Adam J; Grigoropoulos, Costas P
High-Speed Photothermal Patterning of Doped Polymer Films Journal Article
In: ACS applied materials & interfaces, vol. 11, no. 44, pp. 41717–41725, 2019.
@article{su2019high,
title = {High-Speed Photothermal Patterning of Doped Polymer Films},
author = {Zhengliang Su and Zaira I Bedolla-Valdez and Letian Wang and Yoonsoo Rho and Sunny Chen and Goktug Gonel and Eric N Taurone and Adam J Moulé and Costas P Grigoropoulos},
year = {2019},
date = {2019-01-01},
journal = {ACS applied materials & interfaces},
volume = {11},
number = {44},
pages = {41717--41725},
publisher = {ACS Publications},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Saska, Jan; Gonel, Goktug; Bedolla-Valdez, Zaira I; Aronow, Sean D; Shevchenko, Nikolay E; Dudnik, Alexander S; Moulé, Adam J; Mascal, Mark
A Freely Soluble, High Electron Affinity Molecular Dopant for Solution Processing of Organic Semiconductors Journal Article
In: Chemistry of Materials, vol. 31, no. 5, pp. 1500–1506, 2019.
@article{saska2019freely,
title = {A Freely Soluble, High Electron Affinity Molecular Dopant for Solution Processing of Organic Semiconductors},
author = {Jan Saska and Goktug Gonel and Zaira I Bedolla-Valdez and Sean D Aronow and Nikolay E Shevchenko and Alexander S Dudnik and Adam J Moulé and Mark Mascal},
year = {2019},
date = {2019-01-01},
journal = {Chemistry of Materials},
volume = {31},
number = {5},
pages = {1500--1506},
publisher = {ACS Publications},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Harrelson, Thomas F; Dantanarayana, Varuni; Xie, Xiaoyu; Koshnick, Correy; Nai, Dingqi; Fair, Ryan; nez, Sean A Nu; Thomas, Alan K; Murrey, Tucker L; Hickner, Michael A; others,
Direct probe of the nuclear modes limiting charge mobility in molecular semiconductors Journal Article
In: Materials Horizons, vol. 6, no. 1, pp. 182–191, 2019.
@article{harrelson2019direct,
title = {Direct probe of the nuclear modes limiting charge mobility in molecular semiconductors},
author = {Thomas F Harrelson and Varuni Dantanarayana and Xiaoyu Xie and Correy Koshnick and Dingqi Nai and Ryan Fair and Sean A Nu{~n}ez and Alan K Thomas and Tucker L Murrey and Michael A Hickner and others},
year = {2019},
date = {2019-01-01},
journal = {Materials Horizons},
volume = {6},
number = {1},
pages = {182--191},
publisher = {Royal Society of Chemistry},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Zhao, Zeqiong; Goncalves, Renato V; Barman, Sajib K; Willard, Emma J; Byle, Edaan; Perry, Russell; Wu, Zongkai; Huda, Muhammad N; Moulé, Adam J; Osterloh, Frank E
Electronic structure basis for enhanced overall water splitting photocatalysis with aluminum doped SrTiO 3 in natural sunlight Journal Article
In: Energy & Environmental Science, vol. 12, no. 4, pp. 1385–1395, 2019.
@article{zhao2019electronic,
title = {Electronic structure basis for enhanced overall water splitting photocatalysis with aluminum doped SrTiO 3 in natural sunlight},
author = {Zeqiong Zhao and Renato V Goncalves and Sajib K Barman and Emma J Willard and Edaan Byle and Russell Perry and Zongkai Wu and Muhammad N Huda and Adam J Moulé and Frank E Osterloh},
year = {2019},
date = {2019-01-01},
journal = {Energy & Environmental Science},
volume = {12},
number = {4},
pages = {1385--1395},
publisher = {Royal Society of Chemistry},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Kiefer, David; Kroon, Renee; Hofmann, Anna I; Sun, Hengda; Liu, Xianjie; Giovannitti, Alexander; Stegerer, Dominik; Cano, Alexander; Hynynen, Jonna; Yu, Liyang; others,
Double doping of conjugated polymers with monomer molecular dopants Journal Article
In: Nature materials, vol. 18, no. 2, pp. 149–155, 2019.
@article{kiefer2019double,
title = {Double doping of conjugated polymers with monomer molecular dopants},
author = {David Kiefer and Renee Kroon and Anna I Hofmann and Hengda Sun and Xianjie Liu and Alexander Giovannitti and Dominik Stegerer and Alexander Cano and Jonna Hynynen and Liyang Yu and others},
year = {2019},
date = {2019-01-01},
journal = {Nature materials},
volume = {18},
number = {2},
pages = {149--155},
publisher = {Nature Publishing Group},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
2018
Harrelson, Thomas; Dantanarayana, Varuni; Bonilla, Alejandro; Troisi, Allesandro; Faller, Roland; Moule, Adam
Towards Novel Organic Electronics: Integrating Simulation and Neutron Scattering Inproceedings
In: APS March Meeting Abstracts, pp. P56–009, 2018.
@inproceedings{harrelson2018towards,
title = {Towards Novel Organic Electronics: Integrating Simulation and Neutron Scattering},
author = {Thomas Harrelson and Varuni Dantanarayana and Alejandro Bonilla and Allesandro Troisi and Roland Faller and Adam Moule},
year = {2018},
date = {2018-01-01},
booktitle = {APS March Meeting Abstracts},
volume = {2018},
pages = {P56--009},
keywords = {},
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tppubtype = {inproceedings}
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Zhan, Pengfei; Zhang, Wenlin; Jacobs, Ian E; Nisson, David M; Xie, Renxuan; Weissen, Albree R; Colby, Ralph H; Moulé, Adam J; Milner, Scott T; Maranas, Janna K; others,
Side chain length affects backbone dynamics in poly (3-alkylthiophene) s Part B Polymer physics Journal Article
In: 2018.
@article{zhan2018side,
title = {Side chain length affects backbone dynamics in poly (3-alkylthiophene) s Part B Polymer physics},
author = {Pengfei Zhan and Wenlin Zhang and Ian E Jacobs and David M Nisson and Renxuan Xie and Albree R Weissen and Ralph H Colby and Adam J Moulé and Scott T Milner and Janna K Maranas and others},
year = {2018},
date = {2018-01-01},
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}
Dantanarayana, Varuni; Fuzell, Jack; Nai, Dingqi; Jacobs, Ian E; Yan, He; Faller, Roland; Larsen, Delmar; Moule, Adam J
Put your backbone into it: Excited-state structural relaxation of PffBT4T-2DT conducting polymer in solution Journal Article
In: The Journal of Physical Chemistry C, vol. 122, no. 12, pp. 7020–7026, 2018.
@article{dantanarayana2018put,
title = {Put your backbone into it: Excited-state structural relaxation of PffBT4T-2DT conducting polymer in solution},
author = {Varuni Dantanarayana and Jack Fuzell and Dingqi Nai and Ian E Jacobs and He Yan and Roland Faller and Delmar Larsen and Adam J Moule},
year = {2018},
date = {2018-01-01},
journal = {The Journal of Physical Chemistry C},
volume = {122},
number = {12},
pages = {7020--7026},
publisher = {ACS Publications},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Hickey, Raymond T; Jedlicka, Erin; Pokuri, Balaji Sesha Sarath; Colbert, Adam E; Bedolla-Valdez, Zaira I; Ganapathysubramanian, Baskar; Ginger, David S; Moulé, Adam J
Morphological consequences of ligand exchange in quantum dot-Polymer solar cells Journal Article
In: Organic Electronics, vol. 54, pp. 119–125, 2018.
@article{hickey2018morphological,
title = {Morphological consequences of ligand exchange in quantum dot-Polymer solar cells},
author = {Raymond T Hickey and Erin Jedlicka and Balaji Sesha Sarath Pokuri and Adam E Colbert and Zaira I Bedolla-Valdez and Baskar Ganapathysubramanian and David S Ginger and Adam J Moulé},
year = {2018},
date = {2018-01-01},
journal = {Organic Electronics},
volume = {54},
pages = {119--125},
publisher = {Elsevier},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Zhan, Pengfei; Zhang, Wenlin; Jacobs, Ian E; Nisson, David M; Xie, Renxuan; Weissen, Albree R; Colby, Ralph H; Moulé, Adam J; Milner, Scott T; Maranas, Janna K; others,
Side chain length affects backbone dynamics in poly (3-alkylthiophene) s Journal Article
In: Journal of Polymer Science Part B: Polymer Physics, vol. 56, no. 17, pp. 1193–1202, 2018.
@article{zhan2018sideb,
title = {Side chain length affects backbone dynamics in poly (3-alkylthiophene) s},
author = {Pengfei Zhan and Wenlin Zhang and Ian E Jacobs and David M Nisson and Renxuan Xie and Albree R Weissen and Ralph H Colby and Adam J Moulé and Scott T Milner and Janna K Maranas and others},
year = {2018},
date = {2018-01-01},
journal = {Journal of Polymer Science Part B: Polymer Physics},
volume = {56},
number = {17},
pages = {1193--1202},
publisher = {Wiley Online Library},
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pubstate = {published},
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}
Jacobs, Ian E; Wang, Faustine; Valdez, Zaira Bedolla I; Oviedo, Alejandra Ayala N; Bilsky, David J; Moulé, Adam J
Photoinduced degradation from trace 1, 8-diiodooctane in organic photovoltaics Journal Article
In: Journal of Materials Chemistry C, vol. 6, no. 2, pp. 219–225, 2018.
@article{jacobs2018photoinduced,
title = {Photoinduced degradation from trace 1, 8-diiodooctane in organic photovoltaics},
author = {Ian E Jacobs and Faustine Wang and Zaira Bedolla I Valdez and Alejandra Ayala N Oviedo and David J Bilsky and Adam J Moulé},
year = {2018},
date = {2018-01-01},
journal = {Journal of Materials Chemistry C},
volume = {6},
number = {2},
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Jacobs, Ian E; Cendra, Camila; Harrelson, Thomas F; Valdez, Zaira Bedolla I; Faller, Roland; Salleo, Alberto; Moulé, Adam J
Polymorphism controls the degree of charge transfer in a molecularly doped semiconducting polymer Journal Article
In: Materials Horizons, vol. 5, no. 4, pp. 655–660, 2018.
@article{jacobs2018polymorphism,
title = {Polymorphism controls the degree of charge transfer in a molecularly doped semiconducting polymer},
author = {Ian E Jacobs and Camila Cendra and Thomas F Harrelson and Zaira Bedolla I Valdez and Roland Faller and Alberto Salleo and Adam J Moulé},
year = {2018},
date = {2018-01-01},
journal = {Materials Horizons},
volume = {5},
number = {4},
pages = {655--660},
publisher = {Royal Society of Chemistry},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
2017
Harrelson, Thomas F; Moulé, Adam J; Faller, Roland
Modeling organic electronic materials: bridging length and time scales Journal Article
In: Molecular Simulation, vol. 43, no. 10-11, pp. 730–742, 2017.
@article{harrelson2017modeling,
title = {Modeling organic electronic materials: bridging length and time scales},
author = {Thomas F Harrelson and Adam J Moulé and Roland Faller},
year = {2017},
date = {2017-01-01},
journal = {Molecular Simulation},
volume = {43},
number = {10-11},
pages = {730--742},
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Jacobs, Ian E; Wang, Faustine; Hafezi, Nema; Medina-Plaza, Cristina; Harrelson, Thomas F; Li, Jun; Augustine, Matthew P; Mascal, Mark; Moulé, Adam J
Quantitative dedoping of conductive polymers Journal Article
In: Chemistry of Materials, vol. 29, no. 2, pp. 832–841, 2017.
@article{jacobs2017quantitative,
title = {Quantitative dedoping of conductive polymers},
author = {Ian E Jacobs and Faustine Wang and Nema Hafezi and Cristina Medina-Plaza and Thomas F Harrelson and Jun Li and Matthew P Augustine and Mark Mascal and Adam J Moulé},
year = {2017},
date = {2017-01-01},
journal = {Chemistry of Materials},
volume = {29},
number = {2},
pages = {832--841},
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Pokuri, Balaji Sesha Sarath; Sit, Joseph; Wodo, Olga; Baran, Derya; Ameri, Tayebeh; Brabec, Christoph J; Moule, Adam J; Ganapathysubramanian, Baskar
Nanoscale Morphology of Doctor Bladed versus Spin-Coated Organic Photovoltaic Films Journal Article
In: Advanced Energy Materials, vol. 7, no. 22, pp. 1701269, 2017.
@article{pokuri2017nanoscale,
title = {Nanoscale Morphology of Doctor Bladed versus Spin-Coated Organic Photovoltaic Films},
author = {Balaji Sesha Sarath Pokuri and Joseph Sit and Olga Wodo and Derya Baran and Tayebeh Ameri and Christoph J Brabec and Adam J Moule and Baskar Ganapathysubramanian},
year = {2017},
date = {2017-01-01},
journal = {Advanced Energy Materials},
volume = {7},
number = {22},
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Li, Jun; Koshnick, Correy; Diallo, Souleymane O; Ackling, Sophia; Huang, David M; Jacobs, Ian E; Harrelson, Thomas F; Hong, Kunlun; Zhang, Guangwu; Beckett, Joseph; others,
Quantitative measurements of the temperature-dependent microscopic and macroscopic dynamics of a molecular dopant in a conjugated polymer Journal Article
In: Macromolecules, vol. 50, no. 14, pp. 5476–5489, 2017.
@article{li2017quantitative,
title = {Quantitative measurements of the temperature-dependent microscopic and macroscopic dynamics of a molecular dopant in a conjugated polymer},
author = {Jun Li and Correy Koshnick and Souleymane O Diallo and Sophia Ackling and David M Huang and Ian E Jacobs and Thomas F Harrelson and Kunlun Hong and Guangwu Zhang and Joseph Beckett and others},
year = {2017},
date = {2017-01-01},
journal = {Macromolecules},
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number = {14},
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Harrelson, Thomas F; Cheng, Yongqiang Q; Li, Jun; Jacobs, Ian E; Ramirez-Cuesta, Anibal J; Faller, Roland; Moulé, Adam J
Identifying atomic scale structure in undoped/doped semicrystalline p3ht using inelastic neutron scattering Journal Article
In: Macromolecules, vol. 50, no. 6, pp. 2424–2435, 2017.
@article{harrelson2017identifying,
title = {Identifying atomic scale structure in undoped/doped semicrystalline p3ht using inelastic neutron scattering},
author = {Thomas F Harrelson and Yongqiang Q Cheng and Jun Li and Ian E Jacobs and Anibal J Ramirez-Cuesta and Roland Faller and Adam J Moulé},
year = {2017},
date = {2017-01-01},
journal = {Macromolecules},
volume = {50},
number = {6},
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Jacobs, Ian E; Aasen, Erik W; Nowak, Derek; Li, Jun; Morrison, William; Roehling, John D; Augustine, Matthew P; Moulé, Adam J
Direct-Write Optical Patterning of P3HT Films Beyond the Diffraction Limit Journal Article
In: Advanced Materials, vol. 29, no. 2, pp. 1603221, 2017.
@article{jacobs2017direct,
title = {Direct-Write Optical Patterning of P3HT Films Beyond the Diffraction Limit},
author = {Ian E Jacobs and Erik W Aasen and Derek Nowak and Jun Li and William Morrison and John D Roehling and Matthew P Augustine and Adam J Moulé},
year = {2017},
date = {2017-01-01},
journal = {Advanced Materials},
volume = {29},
number = {2},
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Jacobs, Ian E; Moulé, Adam J
Controlling molecular doping in organic semiconductors Journal Article
In: Advanced Materials, vol. 29, no. 42, pp. 1703063, 2017.
@article{jacobs2017controlling,
title = {Controlling molecular doping in organic semiconductors},
author = {Ian E Jacobs and Adam J Moulé},
year = {2017},
date = {2017-01-01},
journal = {Advanced Materials},
volume = {29},
number = {42},
pages = {1703063},
publisher = {Wiley Online Library},
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2016
Moule, Adam; Harrelson, Thomas; Cheng, Yongqiang; Ramirez-Cuesta, Anibal; Faller, Roland; Huang, David
Neutron Vibrational Spectroscopy and modeling of polymer/dopant interactions Inproceedings
In: APS March Meeting Abstracts, pp. M1–041, 2016.
@inproceedings{moule2016neutron,
title = {Neutron Vibrational Spectroscopy and modeling of polymer/dopant interactions},
author = {Adam Moule and Thomas Harrelson and Yongqiang Cheng and Anibal Ramirez-Cuesta and Roland Faller and David Huang},
year = {2016},
date = {2016-01-01},
booktitle = {APS March Meeting Abstracts},
volume = {2016},
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tppubtype = {inproceedings}
}
Li, Jun; Jacobs, Ian E; Friedrich, Stephan; Stroeve, Pieter; Moulé, Adam J
Solution aging and degradation of a transparent conducting polymer dispersion Journal Article
In: Organic Electronics, vol. 34, pp. 172–178, 2016.
@article{li2016solution,
title = {Solution aging and degradation of a transparent conducting polymer dispersion},
author = {Jun Li and Ian E Jacobs and Stephan Friedrich and Pieter Stroeve and Adam J Moulé},
year = {2016},
date = {2016-01-01},
journal = {Organic Electronics},
volume = {34},
pages = {172--178},
publisher = {Elsevier},
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Roehling, John D; Baran, Derya; Sit, Joseph; Kassar, Thaer; Ameri, Tayebeh; Unruh, Tobias; Brabec, Christoph J; Moulé, Adam J
Nanoscale morphology of PTB7 based organic photovoltaics as a function of fullerene size Journal Article
In: Scientific reports, vol. 6, no. 1, pp. 1–12, 2016.
@article{roehling2016nanoscale,
title = {Nanoscale morphology of PTB7 based organic photovoltaics as a function of fullerene size},
author = {John D Roehling and Derya Baran and Joseph Sit and Thaer Kassar and Tayebeh Ameri and Tobias Unruh and Christoph J Brabec and Adam J Moulé},
year = {2016},
date = {2016-01-01},
journal = {Scientific reports},
volume = {6},
number = {1},
pages = {1--12},
publisher = {Nature Publishing Group},
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Fuzell, Jack; Jacobs, Ian E; Ackling, Sophia; Harrelson, Thomas F; Huang, David M; Larsen, Delmar; Moulé, Adam J
Optical dedoping mechanism for P3HT: F4TCNQ mixtures Journal Article
In: The journal of physical chemistry letters, vol. 7, no. 21, pp. 4297–4303, 2016.
@article{fuzell2016optical,
title = {Optical dedoping mechanism for P3HT: F4TCNQ mixtures},
author = {Jack Fuzell and Ian E Jacobs and Sophia Ackling and Thomas F Harrelson and David M Huang and Delmar Larsen and Adam J Moulé},
year = {2016},
date = {2016-01-01},
journal = {The journal of physical chemistry letters},
volume = {7},
number = {21},
pages = {4297--4303},
publisher = {ACS Publications},
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Li, Jun; Rochester, Christopher W; Jacobs, Ian E; Aasen, Erik W; Friedrich, Stephan; Stroeve, Pieter; Moulé, Adam J
The effect of thermal annealing on dopant site choice in conjugated polymers Journal Article
In: Organic Electronics, vol. 33, pp. 23–31, 2016.
@article{li2016effect,
title = {The effect of thermal annealing on dopant site choice in conjugated polymers},
author = {Jun Li and Christopher W Rochester and Ian E Jacobs and Erik W Aasen and Stephan Friedrich and Pieter Stroeve and Adam J Moulé},
year = {2016},
date = {2016-01-01},
journal = {Organic Electronics},
volume = {33},
pages = {23--31},
publisher = {Elsevier},
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Jacobs, Ian E; Aasen, Erik W; Oliveira, Julia L; Fonseca, Tayane N; Roehling, John D; Li, Jun; Zhang, Gwangwu; Augustine, Matthew P; Mascal, Mark; Moulé, Adam J
Comparison of solution-mixed and sequentially processed P3HT: F4TCNQ films: effect of doping-induced aggregation on film morphology Journal Article
In: Journal of Materials Chemistry C, vol. 4, no. 16, pp. 3454–3466, 2016.
@article{jacobs2016comparison,
title = {Comparison of solution-mixed and sequentially processed P3HT: F4TCNQ films: effect of doping-induced aggregation on film morphology},
author = {Ian E Jacobs and Erik W Aasen and Julia L Oliveira and Tayane N Fonseca and John D Roehling and Jun Li and Gwangwu Zhang and Matthew P Augustine and Mark Mascal and Adam J Moulé},
year = {2016},
date = {2016-01-01},
journal = {Journal of Materials Chemistry C},
volume = {4},
number = {16},
pages = {3454--3466},
publisher = {Royal Society of Chemistry},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
2015
Moule, Adam J; Jacobs, Ian E; Li, Jun; Burg, Stephanie L; Bilsky, David J; Rotondo, Brandon T; Stroeve, Pieter
High-resolution patterning electronic polymers using dopant induced solubility control (Presentation Recording) Inproceedings
In: Physical Chemistry of Interfaces and Nanomaterials XIV, pp. 954919, International Society for Optics and Photonics 2015.
@inproceedings{moule2015high,
title = {High-resolution patterning electronic polymers using dopant induced solubility control (Presentation Recording)},
author = {Adam J Moule and Ian E Jacobs and Jun Li and Stephanie L Burg and David J Bilsky and Brandon T Rotondo and Pieter Stroeve},
year = {2015},
date = {2015-01-01},
booktitle = {Physical Chemistry of Interfaces and Nanomaterials XIV},
volume = {9549},
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Moulé, Adam J; Jung, Min-Cherl; Rochester, Chris W; Tress, Wolfgang; LaGrange, Daniela; Jacobs, Ian E; Li, Jun; Mauger, Scott A; Rail, Diego M; Lin, Oliver; others,
Mixed interlayers at the interface between PEDOT: PSS and conjugated polymers provide charge transport control Journal Article
In: Journal of Materials Chemistry C, vol. 3, no. 11, pp. 2664–2676, 2015.
@article{moule2015mixed,
title = {Mixed interlayers at the interface between PEDOT: PSS and conjugated polymers provide charge transport control},
author = {Adam J Moulé and Min-Cherl Jung and Chris W Rochester and Wolfgang Tress and Daniela LaGrange and Ian E Jacobs and Jun Li and Scott A Mauger and Diego M Rail and Oliver Lin and others},
year = {2015},
date = {2015-01-01},
journal = {Journal of Materials Chemistry C},
volume = {3},
number = {11},
pages = {2664--2676},
publisher = {Royal Society of Chemistry},
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Jacobs, Ian E; Li, Jun; Burg, Stephanie L; Bilsky, David J; Rotondo, Brandon T; Augustine, Matthew P; Stroeve, Pieter; Moulé, Adam J
Reversible optical control of conjugated polymer solubility with sub-micrometer resolution Journal Article
In: ACS nano, vol. 9, no. 2, pp. 1905–1912, 2015.
@article{jacobs2015reversible,
title = {Reversible optical control of conjugated polymer solubility with sub-micrometer resolution},
author = {Ian E Jacobs and Jun Li and Stephanie L Burg and David J Bilsky and Brandon T Rotondo and Matthew P Augustine and Pieter Stroeve and Adam J Moulé},
year = {2015},
date = {2015-01-01},
journal = {ACS nano},
volume = {9},
number = {2},
pages = {1905--1912},
publisher = {ACS Publications},
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Li, Jun; Zhang, Guangwu; Holm, Daniella M; Jacobs, Ian E; Yin, Bin; Stroeve, Pieter; Mascal, Mark; Moulé, Adam J
Introducing solubility control for improved organic p-type dopants Journal Article
In: Chemistry of Materials, vol. 27, no. 16, pp. 5765–5774, 2015.
@article{li2015introducing,
title = {Introducing solubility control for improved organic p-type dopants},
author = {Jun Li and Guangwu Zhang and Daniella M Holm and Ian E Jacobs and Bin Yin and Pieter Stroeve and Mark Mascal and Adam J Moulé},
year = {2015},
date = {2015-01-01},
journal = {Chemistry of Materials},
volume = {27},
number = {16},
pages = {5765--5774},
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Li, Jun; Rochester, Chris W; Jacobs, Ian E; Friedrich, Stephan; Stroeve, Pieter; Riede, Moritz; Moulé, Adam J
Measurement of small molecular dopant F4TCNQ and C60F36 diffusion in organic bilayer architectures Journal Article
In: ACS applied materials & interfaces, vol. 7, no. 51, pp. 28420–28428, 2015.
@article{li2015measurement,
title = {Measurement of small molecular dopant F4TCNQ and C60F36 diffusion in organic bilayer architectures},
author = {Jun Li and Chris W Rochester and Ian E Jacobs and Stephan Friedrich and Pieter Stroeve and Moritz Riede and Adam J Moulé},
year = {2015},
date = {2015-01-01},
journal = {ACS applied materials & interfaces},
volume = {7},
number = {51},
pages = {28420--28428},
publisher = {ACS Publications},
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pubstate = {published},
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}
2014
Kawanabe, Yusuke; Moulé, Adam J; Faller, Roland
Molecular dynamics study of the local structure of photovoltaic polymer PCDTBT Journal Article
In: Journal of Chemical & Engineering Data, vol. 59, no. 10, pp. 2982–2986, 2014.
@article{kawanabe2014molecular,
title = {Molecular dynamics study of the local structure of photovoltaic polymer PCDTBT},
author = {Yusuke Kawanabe and Adam J Moulé and Roland Faller},
year = {2014},
date = {2014-01-01},
journal = {Journal of Chemical & Engineering Data},
volume = {59},
number = {10},
pages = {2982--2986},
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Roehling, John D; Rochester, Christopher W; Ro, Hyun Wook; Wang, Peng; Majewski, Jaroslaw; Batenburg, Joost K; Arslan, Ilke; Delongchamp, Dean M; Moulé, Adam J
Material profile influences in bulk-heterojunctions Journal Article
In: Journal of Polymer Science Part B: Polymer Physics, vol. 52, no. 19, pp. 1291–1300, 2014.
@article{roehling2014material,
title = {Material profile influences in bulk-heterojunctions},
author = {John D Roehling and Christopher W Rochester and Hyun Wook Ro and Peng Wang and Jaroslaw Majewski and Joost K Batenburg and Ilke Arslan and Dean M Delongchamp and Adam J Moulé},
year = {2014},
date = {2014-01-01},
journal = {Journal of Polymer Science Part B: Polymer Physics},
volume = {52},
number = {19},
pages = {1291--1300},
publisher = {Wiley Online Library},
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Chamousis, Rachel L; Chang, Lilian; Watterson, William J; Montgomery, Rick D; Taylor, Richard P; Moule, Adam J; Shaheen, Sean E; Ilan, Boaz; van de Lagemaat, Jao; Osterloh, Frank E
Effect of fractal silver electrodes on charge collection and light distribution in semiconducting organic polymer films Journal Article
In: Journal of Materials Chemistry A, vol. 2, no. 39, pp. 16608–16616, 2014.
@article{chamousis2014effect,
title = {Effect of fractal silver electrodes on charge collection and light distribution in semiconducting organic polymer films},
author = {Rachel L Chamousis and Lilian Chang and William J Watterson and Rick D Montgomery and Richard P Taylor and Adam J Moule and Sean E Shaheen and Boaz Ilan and Jao van de Lagemaat and Frank E Osterloh},
year = {2014},
date = {2014-01-01},
journal = {Journal of Materials Chemistry A},
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