2020

1. Li, H.; Sini, G.; Sit, J.; Moulé, A. J.; Bredas, J.-L., Understanding Charge Transport in Donor/Acceptor Blends from Large-Scale Device Simulations Based on Experimental Film Morphologies. Energy & Environmental Science 2020.

2019

1. Harrelson, T. F.; Dantanarayana, V.; Xie, X.; Koshnick, C.; Nai, D.; Fair, R.; Nunez, S. A.; Thomas, A. K.; Murrey, T. L.; Mickner, M. A.; Grey, J. K.; Anthony, J. E.; Gomez, E. D.; Troisi, A.; Faller, R.; Moule, A. J., Direct probe of the nuclear modes limiting charge mobility in molecular semiconductors. Material Horizons 2019, 6, 182-191.
2. Li, J.; Holm, D. M.; Guda, S.; I., B.-V. Z.; G., G.; Jacobs, I. E.; Dettmann, M. A.; Saska, J.; Mascal, M.; Moule, A. J., Effect of processing conditions on additive DISC patterning of P3HT films. Journal of Materials Chemistry C 2019, 7, 302-313.
3. Kiefer, D.; Kroon, R.; Hofmann, A. I.; Sun, H.; Liu, X.; Giovannitti, A.; Stegerer, D.; Cano, A.; Hynynen, J.; Yu, L.; Zhang, Y.; Nai, D.; Harrelson, T. F.; Sommer, M.; Moulé, A. J.; Kemerink, M.; Marder, S. R.; McCulloch, I.; Fahlman, M.; Fabiano, S.; Müller, C., Two for One: Double Doping of Conjugated Polymers with Monomer Molecular Dopants. Nature Materials 2019, 18, 149-155.
4. Murrey, T. L.; Guo, K.; Mulvey, J. T.; Lee, O. A.; Cendra, C.; Moulin, J.-F.; Hong, K.; Salleo, A.; Moule, A. J., Additive solution deposition of multi-layered semiconducting polymer films for design of sophisticated device architectures. Journal of Materials Chemistry C, 2019, 7, 953-960.
5. Saska, J.; Gonel, G.; Bedolla Valdez, Z. I.; Aronow, S. D.; Dudnik, A. S.; Moulé, A. J.; Mascal, M., A Freely Soluble, High Electron Affinity Molecular Dopant for Solution Processing of Organic Semiconductors Chemistry of Materials 2019, 31, 1500-1506.
6. Zhao, Z.; Goncalves, R. V.; Barman, S. K.; Willard, E. J.; Byle, E.; Perry, R.; Wu, Z.; Huda, M. N.; Moulé, A. J.; Osterloh, F. E., Electronic structure basis for enhanced overall water splitting photocatalysis with aluminum doped SrTiO3 in natural sunlight. Energy & Environmental Science 2019, 12 (4), 1385-1395.
7. Su, Z.; Bedolla-Valdez, Z. I.; Wang, L.; Rho, Y.; Chen, S.; Gonel, G.; Taurone, E. N.; Moulé, A. J.; Grigoropoulos, C. P., High-Speed Photothermal Patterning of Doped Polymer Films. ACS Applied Materials & Interfaces 2019, 11 (44), 41717-41725.

2018

1. Jacobs, I. E.; Wang, F.; Bedolla Valdez, Z. I.; Ayala Oviedo, A. N.; Bilsky, D. J.; Moule, A. J., Photoinduced degredation from trace 1,8-diiodooctane in organic photovoltaics. Journal of Materials Chemistry C 2018, 6, 219-225.
2. Hickey, R. T.; Jedlicka, E.; Pokuri, B. S. S.; Colbert, A. E.; Bedolla Valdez, Z. I.; Ganapathysubramanian, B.; Ginger, D. S.; Moule, A. J., Morphological consecqences of ligand exchange in quantum dot – polymer solar cells. Organic Electronics 2018, 54, 119-125.
3. Dantanarayana, V.; Fuzell, J.; Nai, D.; Jacobs, I. E.; He, Y.; Faller, R.; Larsen, D.; Moule, A. J., Put Your Backbone into It: Excited-State Structural Relaxation of PffBT4T-2DT Conducting Polymer in Solution. Journal of Physical Chemistry C 2018, 122 (12), 7020-7026.
4. Jacobs, I. E.; Cendra, C.; Harrelson, T. F.; Bedolla Valdez, Z. I.; Faller, R.; Salleo, A.; Moule, A. J., Polymorphism controls the degree of charge transfer in a molecularly doped semiconducting polymer. Material Horizons 2018, 5 (4), 655-660.
5. Zhan, P.; Zhang, W.; Jacobs, I. E.; Nisson, D.; Moule, A. J.; Milner, S.; Maranas, J.; Gomez, E. D., Side Chain Length Affects Backbone Dynamics in Poly(3-alkylthiophene)s. Journal of Polymer Science B: Polymer Physics 2018.

2017

1. Jacobs, I. E.; Aasen, E. W.; Nowak, D.; Li, J.; Morrison, W.; Roehling, J. D.; Augustine, M. P.; Moule, A. J., Direct-write optical patterning of P3HT films beyond the diffraction limit. Advanced Materials, 2017, 29, 1603221.
2. Harrelson, T. F.; Cheng, Y. Q.; Li, J.; Jacobs, I. E.; Ramirez-Cuesta, A. J.; Faller, R.; Moule, A. J., Identifying Atomic Scale Structure in Undoled/Doped Semicrystalline P3HT Using Inelastic Neutron Scattering. Macromolecules 2017, 50, (6), 2424-2435.
3. Harrelson, T. F.; Moulé, A. J.; Faller, R., Modeling organic electronic materials: bridging length and time scales. Molecular Simulation 2017, 1-13.
4. Jacobs, I. E.; Wang, F.; Hazefi, N.; Medina-Plaze, C.; Harrelson, T. F.; Li, J.; Augustine, M. P.; Mascal, M.; Moule, A. J., Quantitative dedoping of conducting polymers. Chemistry of Materials 2017, 29, (2), 832-841.
5. Li, J.; Koshnick, C.; Diallo, S. O.; Ackling, S.; Huang, D. M.; Jacobs, I. E.; Harrelson, T. F.; Hong, K.; Zhang, G.; Beckett, J.; Mascal, M.; Moule, A. J., Quantitative Measurements of the temperature-dependent microscopic and macroscopic dynamics of a molecular dopant in a conjugated polymer. Macromolecules 2017, 50, (14), 5476-5489.
6. Pokuri, B. S. S.; Sit, J.; Wodo, O.; Baran, D.; Ameri, T.; Brabec, C. J.; Moule, A. J.; Ganapathysubramanian, B., Nanoscale Morphology of Doctor Bladed vs Spin Coated Organic Photovoltaic Films. Advanced Energy Materials 2017, 1701269.
7. Jacobs, I. E.; Moule, A. J., Controlling Molelcular Doing in Organic Semiconductors. Advanced Materials 2017, 29, (42), 1703063.

2016

1. Jacobs, I. E.; Li, J.; Aasen, E. W.; Lopez, J.; Fonseca, T.; Zhang, G.; Stroeve, P.; Augustine, M. P.; Mascal, M.; Moule, A. J., Comparison of solution-mixed and sequentially processed P3HT:F4TCNQ films: effect of doping-induced aggregation on film morphology. Journal of Materials Chemistry C 2016, 4, 3454-3466.
2. Li, J.; Rochester, C. W.; Jacobs, I. E.; Aasen, E. W.; Friedrich, S.; Stroeve, P.; Moule, A. J., The effect of thermal annealing on dopant site choice in conjugated polymers. Organic Electronics 2016, 33, 23-31.
3. Li, J.; Jacobs, I. E.; Friedrich, S.; Stroeve, P.; Moule, A. J., Solution aging and degradation of a transparent conducting polymer dispersion. Organic Electronics 2016, 34, 172-178.
4. Roehling, J. D.; Baran, D.; Sit, J.; Kassar, T.; Ameri, T.; Unruh, T.; Brabec, C. J.; Moule, A. J., Nanoscale Morphology of PTB7 Based Organic Photovoltaics as a Function of Fullerene Size. Scientific Reports 2016, 6.
5. Fuzell, J.; Jacobs, I. E.; Ackling, A.; Harrelson, T. F.; Huang, D. M.; Larsen, D. S.; Moule, A. J., Optical Dedoping Mechanism for P3HT/F4TCNQ Mixtures. Journal of physical Chemistry Letters 2016, 7, 4297-4303.

2015

1. Jacobs, I. E.; Li, J.; Berg, S. L.; Bilsky, D. J.; Rotondo, B. T.; Augustine, M. P.; Stroeve, P.; Moule, A. J., Reversible optical Control of Conductive Polymer Solubility with Sub-Micrometer Resolution. ACS-Nano 2015, 9, (2), 1905-1912.
2. Moule, A. J. et. Al. Mixed interlayers at the interface between PEDOT:PSS and conjugated polymers provide charge transport control. Journal of Materials Chemistry C 2015, 3, 2664-2676.
3. Li, J.; Zhang, G.; Holm, D. M.; Jacobs, I. E.; Yin, B.; Stroeve, P.; Mascal, M.; Moule, A. J., Introducing solubility control for improved organic p-type dopants. Chemistry of Materials 2015, 27, (16), 5765-5774.
4. Li, J.; Rochester, C. W.; Jacobs, I. E.; Friedrich, S.; Stroeve, P.; Riede, M.; Moule, A. J., Measurement of small molecule dopant diffusion in device architectures. ACS Materials and Interfaces 2015, 7(51), 28420-28428.

2014

1. Kawanabe, Y.; Moulé, A. J.; Faller, R., Molecular Dynamics Study of the Local Structure of Photovoltaic Polymer PCDTBT. Journal of Chemical & Engineering Data – Online 2014, 59, (10), 2982-2986.
2. Roehling, J.D., et al., Material profile influences in bulk-heterojunctions Journal of Polymer Science B: Polymer Physics, 2014.
3. Osterloh, F.E., et al., P3HT:PCBM Bulk-Heterojunction Photovoltaic Cells : Observing Interfacial and Charge Transfer States with Surface Photovoltage Spectroscopy Journal of Physical Chemistry C, 2014. 118(7): p. 14723-14731.
4. Moule, A.J., D. Neher, and S.T. Turner, P3HT-Based Solar Cells: Structural Properties and Photovoltaic Performance, in P3HT Revisited – From Molecular Scale to Solar Cell Devices, S. Ludwigs, Editor 2014, Springer-Verlag GmbH.
5. Mauger, S.A., et al., High work-function hole transport layers by self-assembly using a fluorinated additive. The Journal of Materials Chemistry C, 2014. 2(1): p. 115-123.
6. Chamousis, R.L., et al., Effect of Fractal Silver Electrodes on Charge Collection and Light Distribution in Bulk Heterojunction Organic Polymer Films. Journal of Materials Chemistry A, 2014.

2013

1.  Wodo, O., et al., Quantifying organic solar cell morphology: A computational study of three-dimensional maps. Energy & Environmental Science, 2013. 6(10): p. 3060-3070.
2. Roehling, J.D., et al., Three-Dimensional Concentration Mapping of Organic Blends. Advanced Functional Materials, 2013. 23(17): p. 2115-2122.
3. Osterloh, F.E., et al., Photochemical Charge Separation in Poly(3-hexylthiophene) (P3HT) films observed with surface photovoltage spectroscopy. Journal of Physical Chemistry C, 2013. 117(51): p. 26905-26913.
4. Mauger, S.A., et al., Self-Assembly of Selective Interfaces in Organic Photovoltaics. Advanced Functional Materials, 2013. 23(15): p. 1935-1946.
5. Martin, T.P., et al., Packing Dependent Electronic Coupling in Single Poly(3-hexylthiophene) H- and J-Aggregate Nanofibers. Journal of Physical Chemistry B, 2013. 117(16): p. 4478-4487.
6. Gao, J., et al., Effect of 2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane Charge Transfer Dopants on the Conformation and Aggregation of Poly(3-hexylthiophene) Journal of Materials Chemistry C, 2013. 1: p. 5638-5646.
7. Chang, L., et al., Correlating Molecular-scale Solvent Interactions to Morphology and OPV Device Performance. Organic Electronics, 2013. 14: p. 2431-2443.

2012

1.  Roehling, J.D., I. Arslan, and A.J. Moulé, Controlling microstructure in poly(3-hexylthiophene) nanofibers. Journal of Materials Chemistry, 2012. 22(6): p. 2498-2506.
2. Rochester, C.W., S.A. Mauger, and A.J. Moule, Investigating the morphology of polymer/fullerene layers coated using orthogonal solvents. Journal of Physical Chemistry C, 2012. 116(13): p. 7287-7292.
3. Niles, E.T., et al., J-aggregate behavior in poly-3-hexylthiophene nanofibers. Journal of Physical Chemistry Letters, 2012. 3: p. 259-263.
4. Moule, A.J., et al., Hybrid Solar Cells: Basic Principles and the Role of Ligands. Journal of Materials Chemistry, 2012. 22(6): p. 2351-2368.
5. Mauger, S.A., et al., Directional dependence of electron blocking in PEDOT:PSS. Organic Electronics, 2012. 13(11): p. 2747-2756.
6. Dantanarayana, V., et al., Multi-scale Modeling of Bulk Heterojunctions for Organic Photovoltaic Applications, in Third Generation Photovoltaics, V. Fthenakis, Editor 2012, In-Tech: Rijeka.
7. Chang, L., et al., Calcium niobate nanosheets as a novel electron transport material for solution-processed multi-junction polymer solar cells. Journal of Materials Chemistry, 2012. 22: p. 20443-20450.

2011

1.  Mauger, S.A. and A.J. Moule, Characterization of new transparent organic electrode materials. Organic Electronics, 2011. 12: p. 1948-1956.
2. Huang, D.M., A.J. Moulé, and R. Faller, Characterization of Polymer-Fullerene Mixtures for Organic Photovoltaics by Systematically Coarse-Grained Molecular Simulations. Fluid Phase Equilibria, 2011. 302: p. 21-25.
3. Huang, D.M., et al., The Consequences of Interface Mixing of Organic Photovoltaic Device Characteristics. Advanced Functional Materials, 2011. 21: p. 1657-1665.
4. Chang, L., et al., Effect of Trace Solvent on the Morphology of P3HT:PCBM Bulk Heterojunction Solar Cells. Advanced Functional Materials, 2011. 21(10): p. 1779-1787.
5. Busby, E., et al., Acceptor Dependent Polaron Recombination Dynamics in Poly-3-hexylthiophene: Fullerene Composite Films. Chemical Physics Letters, 2011. 513: p. 77-83.
6. Busby, E., et al., Excited-state Self-trapping and ground-state relaxation dynamics in poly(3-hexylthiophene) resolved with broadband pump-dum-probe spectroscopy. Journal of Physical Chemistry Letters, 2011. 2(21): p. 2764-2769.

2010

1.  Moulé, A.J., Power from plastic. Current Oppinions in Solid State and Materials Science, 2010. 14: p. 123-130.
2. Huang, D.M., et al., Coarse-grained computer simulations of polymer/fullerene bulk heterojunctions for organic photovoltaic applications. Journal of Chemical Theory and Computation, 2010. 6: p. 526-537.
3. Do, K., et al., A comparitive MD study of the local structure of polymer semiconductors P3HT and PBTTT. Physical Chemistry Chemical Physics, 2010. 12: p. 14735-14739.

2009

1.  Moulé, A.J., et al., Optical description of solid-state dye-sensitized solar cells: Part I. Measurement of layer optical properties Journal of Applied Physics, 2009. 106: p. 073111.
2. Moulé, A.J. and K. Meerholz, Morphology Control in Solution-Processed Bulk-Heterojunction Solar Cell Mixtures. Advanced Functional Materials, 2009. 19(19): p. 3028-3036.
3. Huang, D.M., et al., Optical description of solid-state dye-sensitized solar cells: Part II. Device optical modeling with implications for improving efficiency. Journal of Applied Physics, 2009. 106: p. 073112.
4. Andersson, B.V., et al., An optical spacer is no panacea for light collection in organic solar cells. Applied Physics Letters, 2009. 94: p. 043302.

Postdoctoral work with Prof. Klaus Meerholz at the University of Cologne, Germany

1.  Moulé, A.J., et al., Two Novel Cyclopentadithiophene-Based Alternating Copolymers as Potential Donor Components for High-Efficiency Bulk-Heterojunction-Type Solar Cells. Chem. Mater., 2008. 20(12): p. 4045-4050.
2. Moulé, A.J. and K. Meerholz, Intensity-dependent photocurrent generation at the anode in bulk-heterojunction solar cells. Applied Physics B: Lasers and Optics, 2008. 92(2): p. 209-218.
3. Moulé, A.J. and K. Meerholz, Controlling Morpholopy in Polymer-Fullerene Mixtures. Advanced Materials, 2008. 20(2): p. 240-245.
4. Moulé, A.J., et al., Effect of Polymer Nanoparticle Formation on the Efficiency of Polythiophene Based “Bulk-Heterojunction” Solar Cells. J. Phys. Chem. C, 2008. 112(33): p. 12583-12589.
5. Snaith, H.J., et al., Efficiency Enhancements in Solid-State Hybrid Solar Cells via Reduced Charge Recombination and Increased Light Capture. Nano Letters, 2007. 7(11): p. 3372-3376.
6. Moulé, A.J. and K. Meerholz, Interference method for the determination of the complex refractive index of thin polymer layers. Applied Physics Letters, 2007. 91(1): p. 061901.
7. Moulé, A.J. and K. Meerholz, Minimizing Optical Losses in Bulk Heterojunction Polymer Solar Cells. Applied Physics B, 2007. 86(4): p. 771-777.
8. Moulé, A.J., J.B. Bonekamp, and K. Meerholz, The effect of active layer thickness and concentration on the performance of bulk heterojunction solar cells. Journal of Applied Physics, 2006. 100: p. 094503.

Graduate Work with Prof. Alexander Pines at UC Berkeley, U.S.A.

1.  Meriles, C.A., et al., High-resolution NMR of static samples by rotation of the magnetic field. Journal of Magnetic Resonance, 2004. 169(1): p. 13-18.
2. Moulé, A.J., et al., Amplification of xenon NMR and MRI by remote detection. Proceedings of the National Academy of Sciences of the United States of America, 2003. 100(16): p. 9122-9127.
3. Wong-Foy, A., et al., Laser-polarized Xe-129 NMR and MRI at ultralow magnetic fields. Journal of Magnetic Resonance, 2002. 157(2): p. 235-241.
4. Sakellariou, D., et al., Variable rotation composite pulses for high resolution nuclear magnetic resonance using inhomogeneous magnetic and radiofrequency fields. Chemical Physics Letters, 2002. 363(1-2): p. 25-33.
5. Heise, H., et al., Two-dimensional high-resolution NMR spectra in matched B-0 and B-1 field gradients. Journal of Magnetic Resonance, 2002. 156(1): p. 146-151.
6. Saxena, S., et al., Resolution of Xe-129 chemical shifts at ultralow magnetic field. Journal of the American Chemical Society, 2001. 123(33): p. 8133-8134.
7. Meriles, C.A., et al., Approach to high-resolution ex situ NMR spectroscopy. Science, 2001. 293(5527): p. 82-85.