Publications

104 entries « 1 of 3 »

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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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 Journal Article

In: Journal of Polymer Science Part B: Polymer Physics, vol. 56, no. 17, pp. 1193–1202, 2018.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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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.

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104 entries « 1 of 3 »