Publications

116 entries « 1 of 3 »

2024

Jha, Meghna; Santiana, Joaquin Mogollon; Hong, Megan L.; Vong, Emily; Ahmadi, Shiva; Manikantan, Harishankar; Moulé, Adam J.

Advancing Semiconducting Polymer Patterning: Analysis and Predictive Modeling of Micropatterns Achieved via Photothermal Lithography Journal Article

In: ACS Applied Polymer Materials, vol. 6, no. 18, pp. 11302-11311, 2024, ISSN: 2637-6105 2637-6105.

Links | BibTeX

Jha, Meghna; Santiana, Joaquin Mogollon; Jacob, Aliyah A.; Light, Kathleen; Hong, Megan L.; Lau, Michael R.; Filardi, Leah R.; Miao, Haoqian; Gurses, Sadi M.; Kronawitter, Coleman X.; Mascal, Mark; Moulé, Adam J.

Stability Study of Molecularly Doped Semiconducting Polymers Journal Article

In: The Journal of Physical Chemistry C, vol. 128, no. 3, pp. 1258-1266, 2024, ISSN: 1932-7447 1932-7455.

Links | BibTeX

Vong, D.; Maleki, F.; Novak, E. C.; Daemen, L. L.; Moule, A. J.

Measuring Intermolecular Excited State Geometry for Favorable Singlet Fission in Tetracene Journal Article

In: J Phys Chem Lett, vol. 15, no. 5, pp. 1188-1194, 2024, ISSN: 1948-7185 (Electronic) 1948-7185 (Linking), (Vong, Daniel Maleki, Farahnaz Novak, Eric C Daemen, Luke L Moule, Adam J eng 2024/01/25 J Phys Chem Lett. 2024 Feb 8;15(5):1188-1194. doi: 10.1021/acs.jpclett.3c02343. Epub 2024 Jan 25.).

Abstract | Links | BibTeX

Maleki, Farahnaz; Thorley, Karl J.; Iqbal, Hamna F.; Vong, Daniel; Maitra, Toulik; Petty, Anthony; Daemen, Luke L.; Parkin, Sean R.; Jurchescu, Oana D.; Anthony, John E.; Moulé, Adam J.

Design Rules to Optimize the Intermolecular and Long-Range Packing of Organic Semiconductor Crystals Journal Article

In: Chemistry of Materials, vol. 36, no. 9, pp. 4794-4805, 2024, ISSN: 0897-4756 1520-5002.

Links | BibTeX

2023

Vong, Daniel; Novak, Eric C.; Moulé, Adam J.; Daemen, Luke L.

Photochemistry sample sticks for inelastic neutron scattering Journal Article

In: Review of Scientific Instruments, vol. 94, no. 8, pp. 085102, 2023.

Links | BibTeX

Dettmann, Makena A.; Cavalcante, Lucas S. R.; Magdaleno, Corina A.; Moulé, Adam J.

Catching the Killer: Dynamic Disorder Design Rules for Small-Molecule Organic Semiconductors Journal Article

In: Advanced Functional Materials, vol. 33, iss. 14, pp. 2213370, 2023.

Links | BibTeX

Murrey, Tucker L.; Berteau-Rainville, Melissa; Gonel, Goktug; Saska, Jan; Shevchenko, Nikolay E.; Fergerson, Alice S.; Talbot, Rachel M.; Yacoub, Nichole L.; Zhang, Fengyu; Kahn, Antoine; Mascal, Mark; Salzmann, Ingo; Moulé, Adam J.

Quantifying polaron densities in sequentially doped conjugated polymers: exploring the upper limits of molecular doping and conductivity Journal Article

In: Journal of Materials Chemistry C, vol. 11, no. 42, pp. 14884-14895, 2023, ISSN: 2050-7526 2050-7534.

Links | BibTeX

Chu, Xiaolei; Abelson, Alex; Qian, Caroline; Igouchkine, Oleg; Field, Ethan; Ma, Kwan‐Liu; Law, Matt; Moule, Adam J.

Atomic Lattice Resolved Electron Tomography of a 3D Self‐Assembled Mesocrystal Journal Article

In: Advanced Functional Materials, vol. 33, no. 22, 2023, ISSN: 1616-301X 1616-3028.

Links | BibTeX

2022

Cavalcante, Lucas SR; Dettmann, Makena A; Sours, Tyler; Yang, Dong; Daemen, Luke L; Gates, Bruce C; Kulkarni, Ambarish R; Moulé, Adam J

Elucidating correlated defects in metal organic frameworks using theory-guided inelastic neutron scattering spectroscopy Journal Article

In: Materials Horizons, vol. 10, iss. 1, pp. 187-196, 2022.

Links | BibTeX

Vong, Daniel; Nematiaram, Tahereh; Dettmann, Makena A.; Murrey, Tucker L.; Cavalcante, Lucas S. R.; Gurses, Sadi M.; Radhakrishnan, Dhanya; Daemen, Luke L.; Anthony, John E.; Koski, Kristie J.; Kronawitter, Coleman X.; Troisi, Alessandro; Moulé, Adam J.

Quantitative Hole Mobility Simulation and Validation in Organic Semiconductors Journal Article

In: Journal of Physical Chemistry Letters, vol. 13, iss. 24, pp. 5530-5537, 2022.

Links | BibTeX

2021

Moulé, Adam J.; Gonel, Goktug; Murrey, Tucker L.; 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, vol. 8, iss. 4, pp. 1-9, 2021.

Links | BibTeX

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.

Links | BibTeX

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.

Links | BibTeX

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.

Links | BibTeX

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.

Links | BibTeX

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.

Links | BibTeX

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.

Abstract | Links | BibTeX

2020

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.

BibTeX

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.

BibTeX

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.

BibTeX

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.

BibTeX

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.

BibTeX

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.

BibTeX

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.

BibTeX

2019

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.

BibTeX

Moule, Adam; Jacobs, Ian; Li, Jun; Vldez, Zaira Bedolla; Murrey, Tucker

Rapid and non-destructive optical patterning of conjugated polymers for device applications Proceedings Article

In: APS March Meeting Abstracts, pp. X50–001, 2019.

BibTeX

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.

BibTeX

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.

BibTeX

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.

BibTeX

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.

BibTeX

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.

BibTeX

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.

BibTeX

2018

Harrelson, Thomas; Dantanarayana, Varuni; Bonilla, Alejandro; Troisi, Allesandro; Faller, Roland; Moule, Adam

Towards Novel Organic Electronics: Integrating Simulation and Neutron Scattering Proceedings Article

In: APS March Meeting Abstracts, pp. P56–009, 2018.

BibTeX

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.

BibTeX

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.

BibTeX

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.

BibTeX

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.

BibTeX

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.

BibTeX

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.

BibTeX

2017

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.

BibTeX

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.

BibTeX

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.

BibTeX

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.

BibTeX

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.

BibTeX

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.

BibTeX

Jacobs, Ian E; Moulé, Adam J

Controlling molecular doping in organic semiconductors Journal Article

In: Advanced Materials, vol. 29, no. 42, pp. 1703063, 2017.

BibTeX

2016

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.

BibTeX

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.

BibTeX

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.

BibTeX

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.

BibTeX

116 entries « 1 of 3 »