1. M. K. Gish, C. D. Karunasena, J. M. Carr, W. P. Kopcha, A. L. Greenaway, A. A. Mohapatra, J. Zhang, A. Basu, Vi. Brosius, S. M. Pratik, J.L. Bredas, V. Coropceanu, S. Barlow, S. R. Marder, A. J. Ferguson, and O. G. Reid. "The Excited-State Lifetime of Poly(NDI2OD-T2) Is Intrinsically Short" J. Phys. Chem. C (2024).
  2. G. Cai, Y. Li, Y. Fu, H. Yang, L. Mei, Z. Nie, T. Li, H. Liu, Y. Ke, X-L Wang, J.L. Brédas, M-C Tang, X. Chen, X. Zhan, and X. Lu. "Deuteration-enhanced neutron contrasts to probe amorphous domain sizes in organic photovoltaic bulk heterojunction films" Nat Commun 15, 2784 (2024).
  3. X. Ni, H. Li, and J.L. Brédas. "Half-Metallic Ferromagnetism in Radical-Bridged Metal–Organic Frameworks" Chem. Mater. 36, 2380–2389 (2024).
  4. S. Mahadevan, T. Liu, S. Pratik, Y. Li, H. Y. Ho, S. Ouyang, X. Lu, H-L Yip, P. C. Y. Chow, J.L. Brédas, V. Coropceanu, S. K. So, and S-W Tsang. "Assessing intra- and inter-molecular charge transfer excitations in non-fullerene acceptors using electroabsorption spectroscopy" Nat Commun 15, 2393 (2024). 
  5. C. Lu, E. Cho, K. Wan, C. Wu, Y. Gao, V. Coropceanu, J.L. Brédas, and F. Li. "Achieving Nearly 100% Photoluminescence Quantum Efficiency in Organic Radical Emitters by Fine-Tuning the Effective Donor-Acceptor Distance" Adv. Funct. Mater. 2314811 (2024).
  6. X. Zhong, X. Ni, A. Kaplan, X. Zhao, M. Ivancevic, M. L. Ball, Z. Xu, H. Li, B. P Rand, Y-L Loo, J.L. Brédas, and A. Kahn. "Evolution of the Electronic and Excitonic Properties in 2D Ruddlesden–Popper Perovskites Induced by Bifunctional Ligands" Adv. Energy Mater. 2304345 (2024).
  7. K. Du, L. Xiong, C. Fu, X. Ni, J.L. Bredas, and H. Li. "Impact of Structural Defects on the Electronic Properties of Two-Dimensional Covalent Organic Frameworks" ACS Materials Lett. 6, 335–344 (2024).

  1. M. H. Qureshi, J. Bao, T. S. Kleine, K-J Kim, K. J. Carothers, J. Molineux, E. Cho, K-S Kang, N. P. Godman, V. Coropceanu, J.L. Bredas, R. A. Norwood, J. T. Njardarson, and J. Pyun. "Synthesis of Deuterated and Sulfurated Polymers by Inverse Vulcanization: Engineering Infrared Transparency via Deuteration" J. Am. Chem. Soc. 145, 27821 (2023).
  2. X. Xia, Le Mei, C. He, Z. Chen, N. Yao, M. Qin, R. Sun, Z. Zhang, Y. Pan, Y. Xiao, Y. Lin, J. Min, F. Zhang, H. Zhu, J.L. Bredas, H. Chen, X-K Chen and X. Lu. "Revealing the crystalline packing structure of Y6 in the active layer of organic solar cells: the critical role of solvent additives" J. Mater. Chem. A, 2023, 11, 21895 (2023).
  3. A. Chakraborty, P. Zahl, Q. Dai, H. Li, T. Fritz, P. Simon, J.L. Bredas, and O. L. A. Monti. "Frontier Orbital Degeneracy: A New Concept for Tailoring the Magnetic State in Organic Semiconductor Adsorbates" J. Phys. Chem. C, (2023).
  4. M. Shaban Tameh, X. Ni, V. coropceanu, and J.L. Bredas. "Electronic, vibrational, and optical properties of fullerene–S8 co-crystals" J. Mater. Chem. C, 11, 16316, (2023).
  5. Z. Du, H. M. Luong, S. Sabury, P. Therdkatanyuphong, S. Chae, C. Welton, A. L. Jones, J. Zhang, Z. Peng, Z. Zhu, S. Nanayakkara, V. coropceanu, D. G. Choi, S. Xiao, A. Yi, H. J. Kim, J.L. Bredas, H. Ade, G. N. M. Reddy, S. R. Marder, J. R. Reynolds, and T.Q. Nguyen. "Additive-free molecular acceptor organic solar cells processed from a biorenewable solvent approaching 15% efficiency" Mater. Horiz., 2023.
  6. X. Ni, H. Li, and J.L. Bredas. "Electronic and Magnetic Properties of Oligomers and Chains of Poly(benzodifurandione) (PBDF), A Highly Conducting n-Type Polymer" Chem. Mater., 35, 5886 (2023).
  7. D. Qian,  S. M. Pratik,  Q. Liu,  Y. Dong,  R. Zhang,  J. Yu,  N. Gasparini,  J. Wu,  T. Zhang,  V. Coropceanu,  X. Guo,  M. Zhang,  J.L. Bredas,  F. Gao,  J. R. Durrant. "Correlating the Hybridization of Local-Exciton and Charge-Transfer States with Charge Generation in Organic Solar Cells" Adv. Energy Mater. 2301026 (2023).
  8. L. Wan, R. Zhang, E. Cho, H. Li, V. Coropceanu, J.L. Brédas and F. Gao. "Sensitive near-infrared circularly polarized light detection via non-fullerene acceptor blends" Nature Photonics, 17, 649 (2023).
  9. Z. Chen, M. Huang, C. Zhong, S. Gong, V. Coropceanu, J.L. Brédas, and C. Yang. "Pivotal role of transition density in circularly polarized luminescence" Chem. Sci., 14, 6022 (2023).
  10. J. Bao, K. P. Martin, E. Cho, K. Kang, R. S. Glass, V. Coropceanu, J.L. Brédas, W. O. Parker Jr., J. T. Njardarson, and J. Pyun. "On the Mechanism of the Inverse Vulcanization of Elemental Sulfur: Structural Characterization of Poly(sulfur-random-(1,3-diisopropenylbenzene))" J. Am. Chem. Soc. 145, 12386 (2023).
  11. Z. A. Enderson, H. Murali, R. R. Dasari, Q. Dai, H. Li, T. C. Parker, J.L. Bredas, S. R. Marder, and P. N. First. "Tailoring On-Surface Molecular Reactions and Assembly through Hydrogen-Modified Synthesis: From Triarylamine Monomer to 2D Covalent Organic Framework" ACS Nano 17, 7366 (2023).
  12. D. Lungwitz, S. Joy, A. E. Mansour, A. Opitz, C. Karunasena, H. Li, N. A. Panjwani, K. Moudgil, K. Tang, J. Behrends, S. Barlow, S. Marder, J.L. Bredas, K. Graham, N. Koch, and A. Kahn. "Spectral Signatures of a Negative Polaron in a Doped Polymer Semiconductor: Energy Levels and Hubbard U Interactions" J. Phys. Chem. Lett. 14, 5633 (2023).
  13. X. Ni, S. Nanayakkara, H. Li, and J.L. Brédas. "Impact of organic–inorganic wavefunction delocalization on the electronic and optical properties of one-dimensional hybrid perovskites" J. Mater. Chem. C, 11, 5724(2023).
  14. EK Cho, S. Md Pratik, J. Pyun, V. Coropceanu, and J.L. Brédas. "π-Conjugated Carbon-Based Materials for Infrared Thermal Imaging" Adv. Optical Mater. 2300029 (2023).
  15. EK Cho, V. Coropceanu, and J-L Brédas. "Hole versus electron transport in fullerenes" Organic Electronics, 118, 106798 (2023).
  16. J. T. Kohn, H. Li, A. M. Evans, J.L. Brédas, and S. Grimme. "Quantum Chemistry Insight into the Multifaceted Structural Properties of Two-Dimensional Covalent Organic Frameworks" Chem. Mater. (2023).
  17. C. Lu, EK Cho, Z. Cui, Y. Gao, W. Cao, J.L. Brédas, V. Coropceanu, and F. Li. "Towards Efficient and Stable Donor-Acceptor Luminescent Radicals", Adv. Mater., 35, 2208190 (2023).
  18. S. Bhunia, A. Peña-Duarte, H-F Li, H. Li, M. F. Sanad, P. Saha, M. A. Addicoat, K. Sasaki, T. A. Strom, M. J. Yacamán, C. R. Cabrera, R. Seshadri, S. Bhattacharya, J.L. Brédas, and L. Echegoyen. "[2,1,3]-Benzothiadiazole-Spaced Co-Porphyrin-Based Covalent Organic Frameworks for O2 Reduction" ACS Nano, 17, 3492-3505 (2023).
  19. A. K. Oanta, K. A. Collins, A. M. Evans, S. M. Pratik, L. A. Hall, M. J. Strauss, S. R. Marder, D. M. D’Alessandro, T. Rajh, D. E. Freedman, H. Li, J.L. Brédas, L. Sun, and W. R. Dichtel. "Electronic Spin Qubit Candidates Arrayed within Layered Two-Dimensional Polymers" J. Am. Chem. Soc. 145, 1, 689 (2023).
  20. N. Jiang, J. Zhou, X. Hao, J. Li, D. Zhang, J. Bacsa, E. S. Choi, A. Ramanathan, R. E. Baumbach, H. Li, J.L. Brédas, Y. Han, and H. S. La Pierre. "Ground-State Spin Dynamics in d1 Kagome-Lattice Titanium Fluorides" J. Am. Chem. Soc. 145, 1, 207 (2023).

  1. X. Ni, H. Huang, and J.L. Brédas. "Organic Higher-Order Topological Insulators: Heterotriangulene-Based Covalent Organic Frameworks", J. Am. Chem. Soc. 144, 49, 22778 (2022).
  2. J.L. Brédas and J. R. Reynolds. "A new path to highly conducting n-doped π-conjugated polymers", Science China Chemistry (2022).
  3. E. Cho, S. M. Pratik, J. Pyun, V. Coropceanu, and J.L. Brédas. "Ring-to-Chain Structural Relaxation of Elemental Sulfur upon Photoexcitation",  ACS Materials Lett. 2022, 4, 2362–2367 (2022).
  4. R. Warren, E. Cho, H. Li, J.L. Brédas, and N. Koch. "Understanding the Double Doping of Organic Semiconductors Via State Energy Renormalization upon Charging", ACS Materials Lett. 2022, 4, 2051–2057 (2022).
  5. X. Zhong, X. Ni, S. Sidhik, H. Li, A. D. Mohite, J.L. Brédas, and A. Kahn. "Direct Characterization of Type-I Band Alignment in 2D Ruddlesden–Popper Perovskites", Adv. Energy Mater. 2202333 (2022). 
  6. S. Md Pratik, V. Coropceanu, and J.L. Brédas. "Enhancement of Thermally Activated Delayed Fluorescence (TADF) in Multi-Resonant Emitters via Control of Chalcogen Atom Embedding", Chem. Mater. 34, 8022-8030 (2022).
  7. T. Zhang, F. Wang, H-B Kim, I-W Choi, C. Wang, EK Cho, R. Konefal, Y. Puttisong, K. Terado, L. Kobera, M. Chen, M. Yang, S. Bai, B. Yang, J. Suo, S-C Yang, F. Fu, H. Yoshida, W. M. Chen, J. Brus, V. Coropceanu, A. Hagfeldt, J.L. Brédas, M. Fahlman, D. S. Kim, Z. Hu, and F. Gao. "Ion-modulated radical doping of spiro-OMeTAD for more efficient and stable perovskite solar cells", Science, 377, 495-501 (2022).
  8. C. He, Z. Chen, T. Wang, Z. Shen, Y. Li, J. Zhou, J. Yu, H. Fang, Y. Li, S. Li, X. Lu, W. Ma, F. Gao, Z. Xie, V. Coropceanu, H. Zhu, J.L. Brédas, L. Zuo, H. Chen. "Asymmetric electron acceptor enables highly luminescent organic solar cells with certified efficiency over 18%", Nat Commun 13, 2598 (2022).
  9. X. Ni, H. Li, and J.L. Brédas. "Organic self-assembled monolayers on superconducting NbSe2: interfacial electronic structure and energetics",  J. Phys.: Condens. Matter, 34, 294003 (2022).
  10. X. Ni, H. Huang, and J.L. Brédas. "Emergence of a Two-Dimensional Topological Dirac Semimetal Phase in a Phthalocyanine-Based Covalent Organic Framework", Chem. Mater. 34, 3178–3184 (2022).
  11. C. Yang, J. Yin, H. Li, K. Almasabi, L. Gutiérrez-Arzaluz, I. Gereige, J.L. Brédas, O. M. Bakr, O. F. Mohammed. "Engineering Surface Orientations for Efficient and Stable Hybrid Perovskite Single-Crystal Solar Cells", ACS Energy Lett., 7, 1544-1552 (2022).
  12. E. Cho, M. Hong, Y. Yang, Y. Cho, V. Coropceanu, and J-L Brédas. "Energy transfer processes in hyperfluorescent organic light-emitting diodes", J. Mater. Chem. C, 2022.
  13. T. Zhu, L. Shen, S. Xun, J. S. Sarmiento, Y. Yang, L. Zheng, H. Li, H. Wang, J.L. Brédas, X. Gong. "High-Performance Ternary Perovskite–Organic Solar Cells", Adv. Mater., 2109348 (2022).
  14. X. Ni and J.L. Brédas. "Electronic Structure of Zinc-5,10,15,20-tetraethynylporphyrin: Evolution from the Molecule to a One-Dimensional Chain, a Two-Dimensional Covalent Organic Framework, and a Nanotube", Chem. Mater. 34, 1334–1341 (2022).
  15. S. Md Pratik, V. Coropceanu, and J.L. Brédas. "Purely Organic Emitters for Multiresonant Thermally Activated Delay Fluorescence: Design of Highly Efficient Sulfur and Selenium Derivatives", ACS Materials Lett. 4, 440–447 (2022).
  16. M. Martinati, W. Wenseleers, L. Shi, S. M. Pratik,  P. Rohringer, W. Cui, T. Pichler, V. Coropceanu, J.L. Brédas, S. Cambré. "Electronic structure of confined carbyne from joint wavelength-dependent resonant Raman spectroscopy and density functional theory investigations", Carbon, 189, 276-283 (2022).
  17. X. Ni, H. Li, F. Liu, and J.L. Brédas. "Engineering of flat bands and Dirac bands in two-dimensional covalent organic frameworks (COFs): relationships among molecular orbital symmetry, lattice symmetry, and electronic-structure characteristics", Mater. Horiz., 9, 88-98 (2022).
  18. Y. Liu, Z. Zheng, V. Coropceanu, J.L. Brédas, and D. Ginger. "Lower limits for non-radiative recombination loss in organic donor/acceptor complexes", Mater. Horiz., 9, 325-333 (2022).
  19. Q. Dai, H. Li, G. Sini, and J.L. Brédas. "Evolution of the Nature of Excitons and Electronic Couplings in Hybrid 2D Perovskites as a Function of Organic Cation π-Conjugation", Adv. Funct. Mater., 2108662 (2021).

  20. T. Niu, Y-M Xie, S. Xun, Q. Yao, F. Zhen, W. Yan, J.L. Brédas, H-L, Yip, and Y. Cao. "Spacer Engineering of Diammonium-Based 2D Perovskites toward Efficient and Stable 2D/3D Heterostructure Perovskite Solar Cells", Adv. Energy Mater. 2102973 (2022).

  1. A. M Evans, K. A Collins, S. Xun, T. G Allen, S. Jhulki, I. Castano, H. L Smith, M. J Strauss, A. K Oanta, L. Liu, L. Sun, O. G Reid, G. Sini, D. Puggioni, J. M Rondinelli, T. Rajh, N. C Gianneschi, A. Kahn, D. E Freedman, H. Li, S. Barlow, G. Rumbles, J.L. Brédas, S. R Marder, and W. R Dichtel. "Controlled n-Doping of Naphthalene Diimide-Based Two-Dimensional Polymers", Adv. Mater., 2101932 (2021).
  2. B. R. Luginbuhl, P. Raval, T. Pawlak, Z. Du, T. Wang, G. Kupgan, N. Schopp, S. Chae, S. Yoon, A. Yi, H. J. Kim, V. Coropceanu, J.L. Brédas, T-Q Nguyen, and G. N. M. Reddy. "Resolving Atomic-Scale Interactions in Non-Fullerene Acceptor Organic Solar Cells with Solid-State NMR Spectroscopy, Crystallographic Modelling, and Molecular Dynamics Simulations", Adv. Mater., 2105943 (2021).
  3. J. Yin, H. Yang, L. Gutiérrez-Arzaluz, Y. Zhou, J.L. Brédas, O. M. Bakr, and O. Mohammed. "Luminescence and Stability Enhancement of Inorganic Perovskite Nanocrystals via Selective Surface Ligand Binding", ACS Nano, 15 (2021).
  4. S. Xun, H. Li, G. Sini, and J.L. Brédas. "Impact of Imine Bond Orientations on the Geometric and Electronic Structures of Imine-based Covalent Organic Frameworks", Chem Asian J. 16 (2021).
  5. E. Selezneva, A. Vercouter, G. Schweicher, V. Lemaur,  K. Broch, A. Antidormi, K. Takimiya, V. Coropceanu,  J.L. Brédas, Claudio Melis, J. Cornil, and H. Sirringhaus. "Strong Suppression of Thermal Conductivity in the Presence of Long Terminal Alkyl Chains in Low-Disorder Molecular Semiconductors", Adv. Mater., 2008708 (2021).
  6. G. Kupgan, X. Chen, and  J.L. Brédas. "Molecular packing of non-fullerene acceptors for organic solar cells: Distinctive local morphology in Y6 vs. ITIC derivatives", Materials Today Advances, 11, 100154 (2021).
  7. J. Yin, R. Naphade, P. Maity, L. Gutiérrez-Arzaluz, D. D. Almalawi, I. S. Roqan, J.L. Brédas, O. M. Bakr, and O. F. Mohammed. "Manipulation of hot carrier cooling dynamics in two-dimensional Dion–Jacobson hybrid perovskites via Rashba band splitting", Nat. Commun. 12, 3995 (2021).
  8. X-K, Chen, D. Qian, Y. Wang, T. Kirchartz, W. Tress, H. Yao, J. Yuan, M. Hulsbeck, M. Zhang, Y. Zou, Y. Sun, Y. Li, J. Hou, O. Inganas, V. Coropceanu, J.L. Brédas, and F. Gao. "A unified description of non-radiative voltage losses in organic solar cells", Nature Energy, 6, 799-806 (2021).
  9. H. Li, and J.L. Brédas. "Impact of Structural Defects on the Elastic Properties of Two-Dimensional Covalent Organic Frameworks (2D COFs) under Tensile Stress", Chem. Mater., 33, 12, 4529 (2021).
  10. B. Wang, H. Li, Q. Dai, M. Zhang, Z. Zou, J.L. Brédas, and Z. Lin. "Robust Molecular Dipole-Enabled Defect Passivation and Control of Energy Level Alignment for High-Efficiency Perovskite Solar Cells", Angewandte Chemie, 133, 17805 (2021).
  11. E. Cho, V. Coropceanu, J.L. Brédas. "Impact of chemical modifications on the luminescence properties of organic neutral radical emitters", J. Mater. Chem. C, 9, 10794 (2021).
  12. H. Li and J.L. Bredas. "Developing molecular-level models for organic field-effect transistors", National Science Review, 8, nwaa167 (2021).
  13. G. Kupgan, X-K Chen, and J.L. Bredas. "Molecular Packing in the Active Layers of Organic Solar Cells Based on Non-Fullerene Acceptors: Impact of Isomerization on Charge Transport, Exciton Dissociation, and Nonradiative Recombination", ACS Appl. Energy Mater. 4, 4002 (2021).
  14. H. Li, A. M. Evans, W. R. Dichtel, and J.L. Bredas. "Quantitative Description of the Lateral Growth of Two-Dimensional Covalent Organic Frameworks Reveals Self-Templation Effects", ACS Materials Lett. 3, 4, 398–405 (2021).
  15. A. M. Evans, A. Giri, V. K. Sangwan, S. Xun, M. Bartnof, C. G. Torres-Castanedo, H. B. Balch, M, S. Rahn, N. P. Bradshaw, E. Vitaku, D. W. Burke, H. Li, M. J. Bedzk, F. Wang, J.L. Bredas, J. A. Malen, A. J. H. McGaughey, M. C. Hersam, W. R. Dichtel, and P. E. Hopkins. "Thermally conductive ultra-low-k dielectric layers based on two-dimensional covalent organic frameworks", Nat. Mater., 20, 1142 (2021).
  16. Y. Tsuchiya, Y. Ishikawa, S-H Lee, X-K Chen, J.L. Bredas, H. Nakanotani, and C. Adachi. "Thermally Activated Delayed Fluorescence Properties of Trioxoazatriangulene Derivatives Modified with Electron Donating Groups", Adv. Optical Mater. 2002174 (2021).
  17. T. Wang, J.L. Brédas. "Organic Photovoltaics: Understanding the Preaggregation of Polymer Donors in Solution and Its Morphological Impact", J. Am. Chem. Soc.,143, 1822–1835 (2021).
  18. E. Cho, M. Hong, V. Coropceanu, J.L. Brédas. "The Role of Intermolecular Interactions on the Performance of Organic Thermally Activated Delayed Fluorescence (TADF) Materials",  Adv. Optical Mater. 2002135 (2021).

  1. D. Zhang, G. Wang, C. Chen, T. Joshi, X. Chen, A. M. Evans, M. Matsumoto, W. R. Dichtel, H. Li, M. F. Crommie, and J.L. Brédas. "Mechanism of Formation of Benzotrithiophene-Based Covalent Organic Framework Monolayers on Coinage-Metal Surfaces: C–C Coupling Selectivity and Monomer–Metal Interactions", Chem. Mater., 32, 24, 10688–10696 (2020).
  2. H. B. Balch, A. M. Evans, R. R. Dasari, H. Li, R. Li, S. Thomas, D. Wang, R. P. Bisbey, K. Slicker, I. Castano, S. Xun, L. Jiang, C. Zhu, N. Gianneschi, D. C. Ralph, J.L. Brédas, S. R. Marder, W. Dichtel, and F. Wang. "Electronically Coupled 2D Polymer/MoS2 Heterostructures", J. Am. Chem. Soc., 142, 50, 21131–21139 (2020).

  3. H. Li, H. Li, S. Xun, J.L. Brédas, “Doping Modulation of the Charge Injection Barrier between a Covalent Organic Framework Monolayer and Graphene”, Chemistry of Materials, 32, 9228 (2020).

  4. E. Cho, V. Coropceanu, J.L. Brédas, “Organic Neutral Radical Emitters: Impact of Chemical Substitution and Electronic-State Hybridization on the Luminescence Properties”, Journal of the American Chemical Society, 142, 41, 17782 (2020).

  5. E. Cho, L. Liu, V. Coropceanu, J.L. Brédas, “Impact of secondary donor units on the excited-state properties and thermally activated delayed fluorescence (TADF) efficiency of pentacarbazole-benzonitrile emitters”, The Journal of Chemical Physics 153 (14), 144708 (2020).

  6. H. Abroshan, V. Coropceanu, J.L. Brédas, “Hyperfluorescence-Based Emission in Purely Organic Materials: Suppression of Energy-Loss Mechanisms via Alignment of Triplet Excited States”, ACS Materials Letters 2, 1412-1418 (2020).

  7. L.S. Cui, A.J. Gillett, S.F. Zhang, H. Ye, Y. Liu, X.K. Chen, Z.S. Lin, E.W. Evans, W.K. Myers, T.K. Ronson, H. Nakanotani, S. Reineke, J.L. Bredas, C. Adachi, R. H. Friend, “Fast spin-flip enables efficient and stable organic electroluminescence from charge-transfer states”, Nature Photonics 14 (10), 636-642 (2020).

  8. H. Abroshan, Y. Zhang, X. Zhang, C. Fuentes‐Hernandez, S. Barlow, V. Coropceanu, S.R. Marder, B. Kippelen, J.L. Brédas, “Thermally Activated Delayed Fluorescence Sensitization for Highly Efficient Blue Fluorescent Emitters”, Advanced Functional Materials, 2005898 (2020).

  9. I. Nasrallah, M.K. Ravva, K. Broch, J. Novak, J. Armitage, G. Schweicher, A. Sadhanala, J.E. Anthony, J.L. Bredas, H. Sirringhaus, “A Novel Mitigation Mechanism for Photo‐Induced Trapping in an Anthradithiophene Derivative Using Additives”, Advanced Electronic Materials 6 (9), 2000250 (2020).

  10. G. Zhang, X.K. Chen, J. Xiao, P.C.Y. Chow, M. Ren, G. Kupgan, X. Jiao, C. CS Chan, X. Du, R. Xia, Z. Chen, J. Yuan, Y. Zhang, S. Zhang, Y. Liu, Y. Zou, H. Yan, K. S. Wong, V. Coropceanu, N. Li, C.J. Brabec, J.L. Bredas, H-L Yip, Y. Cao, “Delocalization of exciton and electron wavefunction in non-fullerene acceptor molecules enables efficient organic solar cells”, Nature communications 11 (1), 1-10 (2020).

  11. H. Abroshan, V. Coropceanu, J.L. Brédas, “Radiative and Nonradiative Recombinations in Organic Radical Emitters: The Effect of Guest–Host Interactions”, Advanced Functional Materials 30 (35), 2002916 (2020).

  12. H. Li, J.L. Brédas, “Developing molecular-level models for organic field-effect transistors”, National Science Review, 0:1-14 (2020).

  13. J. Yin, R. Naphade, L. Gutierrez Arzaluz, J.L. Bredas, OM Bakr, OF Mohammed, “Modulation of Broadband Emissions in Two-dimensional< 100>-oriented Ruddlesden-Popper Hybrid Perovskites”, ACS Energy Letters, 5, 2149−2155 (2020).

  14. J. Yin, J-L Bredas, OM Bakr, OF Mohammed, “Boosting Self-Trapped Emissions in Zero-Dimensional Perovskite Heterostructures”, Chemistry of Materials, 32, 5036−5043 (2020).

  15. E. Cho, V. Coropceanu, J.L. Brédas, “Electronic Structure of Multicomponent Organic Molecular Materials: Evaluation of Range-Separated Hybrid Functionals”, Journal of Chemical Theory and Computation, 16 (6), 3712-3719 (2020).

  16. T. Wang, G. Kupgan, J.L. Brédas, “Organic Photovoltaics: Relating Chemical Structure, Local Morphology, and Electronic Properties”, Trends in Chemistry, 2, 6, 535 (2020).

  17. S. Silver, S. Xun, H. Li, J-L Brédas, A. Kahn, “Structural and Electronic Impact of an Asymmetric Organic Ligand in Diammonium Lead Iodide Perovskites”, Advanced Energy Materials 10 (14), 1903900 (2020).

  18. A. Ashokan, C. Hanson, N. Corbin, J.L. Brédas, V. Coropceanu, “Electronic, vibrational, and charge-transport properties of benzothienobenzothiophene–TCNQ co-crystals”, Materials Chemistry Frontiers, 2020, Advance Article.

  19. T. Wang, J.L. Brédas, “Organic solar cells based on non-fullerene small-molecule acceptors: impact of substituent position”, Matter, 2 (1), 119-135 (2020).

  20. H. Li, A. M. Evans, I. Castano, M.J. Strauss, W.R. Dichtel, and J.L. Brédas, “Nucleation-Elongation Dynamics of Two-Dimensional Covalent Organic Frameworks”, Journal of the American Chemical Society, 142, 1367-1374 (2020).

  21. H. Abroshan, E. Cho, V. Coropceanu, and J.L. Brédas, “Suppression of Concentration Quenching in Ortho-Substituted Thermally Activated Delayed Fluorescence Emitters”, Advanced Theory and Stimulations, 3, 1900185/01-12 (2020).

  22. H.Y. Li, G. Sini, J. Sit, A.J. Moule, and J.L. Brédas, “Understanding charge transport in donor/acceptor blends from large-scale device simulations based on experimental film morphologies”, Energy & Environmental Science, 13, 601-615 (2020).

  23. S. Jhulki, A.M. Evans, X.L. Hao, M.W. Cooper, C.H. Feriante, J. Leisen, H. Li, D. Lam, M.C. Hersam, S. Barlow, J.L. Brédas, W.R. Dichtel, and S.R. Marder, “Humidity Sensing through Reversible Isomerization of a Covalent Organic Framework”, Journal of the American Chemical Society, 142, 783-791 (2020).

  24. D.J. Rizzo, Q. Dai, C. Bronner, G. Veber, B.J. Smith, M Matsumoto6, S. Thomas, G.D. Nguyen, P.R. Forrester, W. Zhao, J.H. Jørgensen, W.R. Dichtel, F.R. Fischer, H. Li, J.L. Brédas, and M.F. Crommie, “Revealing the Local Electronic Structure of a Single-layer Covalent Organic Framework through Electronic Decoupling”, Nano Letters, 20, 963-970 (2020).

  1. T. Wang and J.L. Brédas, “Non-Fullerene Small-Molecule Acceptors for Organic Photovoltaics: Understanding the Impact of Methoxy Substitution Position on Molecular Packing and Electron-Transfer Properties”, Advanced Functional Materials, 29, 1806845/01-08 (2019).

  2. S. Thomas, H. Li, and J.L. Brédas, “Emergence of an Antiferromagnetic Mott Insulating Phase in Hexagonal π-Conjugated Covalent Organic Frameworks”, Advanced Materials, 1900355/01-06 (2019).

  3. S. Thomas, H. Li, C. Zhong, M. Matsumoto, W. Dichtel, and J.L. Brédas, "Electronic Structure of Two-Dimensional π-Conjugated Covalent Organic Frameworks", Chemistry of Materials, 31, 3051-3065 (2019).

  4. J. Yin, G. Ahmed, O. Bakr, J.L. Brédas, and O. Mohammed, "Unlocking the Effect of Trivalent Metal Doping in All-Inorganic CsPbBr3 Perovskite", ACS Energy Letters, 4, 789-795 (2019).

  5. Z. Zheng, N.R. Tummala, T. Wang, V. Coropceanu, and J.L. Brédas, “Charge-Transfer States at Organic–Organic Interfaces: Impact of Static and Dynamic Disorders”, Advanced Energy Materials, 1803926/01-07 (2019).

  6. H. Li, M. Hong, A. Scarpaci, Y. He, C. Risko, J. Sears, S. Barlow, P. Winget, S. Marder, D. Kim, and J.L. Brédas, "Chemical Stabilities of the Lowest Triplet State in Aryl Sulfones and Aryl Phosphine Oxides Relevant to OLED Applications", Chemistry of Materials, 31, 1507-1519 (2019)."

  7. Q. Wang, V. Diez-Cabanes, S. Dell’Elce, A. Liscio, J. Kobin, H. Li, J.L. Brédas, S. Hecht, V. Palermo, E. List-Krotochvil, J. Cornil, N. Koch, and G. Ligorio, “Dynamically Switching the Electronic and Electrostatic Properties of Indium−Tin Oxide Electrodes with Photochromic Monolayers: Toward Photoswitchable Optoelectronic Devices”, ACS Applied Nano Materials, 2, 1102-1110 (2019).

  8. S. Thomas, H. Li, R. Dasari, A. Evans, W. Dichtel, S. Marder, V. Coropceanu, and J.L. Brédas, “Design and Synthesis of Two-Dimensional Covalent Organic Frameworks with Four-Arm Cores: Prediction of Remarkable Ambipolar Charge-Transport Properties”, Materials Horizons, 6, 1868-1876 (2019).

  9. H. Li and J.L. Brédas, “Nanoscrolls Formed from Two-Dimensional Covalent Organic Frameworks”, Chemistry of Materials, 31, 3265-3273 (2019).

  10. S. Silver, Q. Dai, H. Li, J.L. Brédas, and A. Kahn, “Quantum Well Energetics of a n=2 Ruddlesden-Popper Phase Perovskite”, Advanced Energy Materials, 9, 1901005/01-07 (2019).

  11. V. Coropceanu, X.K. Chen, T.H. Wang, Z.L. Zheng, and J.L. Brédas, “Charge-Transfer Electronic States in Organic Solar Cells”, Nature Reviews Materials, 4, 689-707 (2019).

  12. C. Buckley, S. Thomas, M. McBride, Z. Yuan, G. Zhang, J.L. Brédas, and E. Reichmanis, “Synergistic Use of Bithiazole and Pyridinyl Substitution for Effective Electron Transport Polymer Materials”, Chemistry of Materials, 31, 3957-3966 (2019).

  13. X.K. Chen, B. Bakr, M. Auffray, Y. Tsuchiya, C. Sherrill, C. Adachi, and J.L. Brédas, “Intramolecular Non-covalent Interactions Facilitate Thermally Activated Delayed Fluorescence (TADF)”, Journal of Physical Chemistry Letters, 10, 3260-3268 (2019).

  14. T. Wang, V. Coropceanu, and J.L. Brédas, “All-Polymer Solar Cells: Impact of the Length of the Branched Alkyl Side-Chains on the Polymer Acceptors on the Inter-Chain Packing and Electronic Properties in Amorphous Blends”, Chemistry of Materials, 31, 6239-6248 (2019).

  15. S. Wang, A. Chavez, S. Thomas, H. Li, N. Flanders, C. Sun, M. Strauss, L. Chen, A. Markvoort, J.L. Brédas, and W. Dichtel, “Pathway Complexity in the Stacking of Imine-linked Macrocycles Related to Two-Dimensional Covalent Organic Frameworks”, Chemistry of Materials, 31, 7104-7111 (2019).

  16. G. Kupgan, X.K. Chen, and J.L. Brédas, “Low Energetic Disorder in Small-Molecule Non-Fullerene Electron Acceptors”, ACS Materials Letters, 1, 350-353 (2019).

  17. J. Ly, K. Martin, S. Thomas, M. Yamashita, B. Yu, C. Pointer, H. Yamada, K. Carter, S. Parkin, L. Zhang, J.L. Brédas, E. Young, and A. Briseno, “Short Excited-State Lifetimes Enable Photo-Oxidatively Stable Rubrene Derivatives”, Journal of Physical Chemistry A, 123, 7558-7566 (2019).

  18. H. Guo, Q. Peng, X.K. Chen, Q. Gu, S. Dong, E.W. Evans, A.J. Gillett, X. Ai, M. Zhang, D. Credgington, V. Coropceanu, R.H. Friend, J.L. Brédas, and F. Li, “High Stability and Luminescence Efficiency in Donor-Acceptor Neutral Radicals Not Following the Aufbau Principle”, Nature Materials, 18, 977-984 (2019).

  19. T. Wang and J.L. Brédas, “Quantum-Chemical Evaluation of Impact of Chlorination vs. Fluorination on the Electronic Properties of Donors and Acceptors for Organic Solar Cells”, Advanced Theory and Stimulations, 1900136/01-04 (2019).

  20. H. Noda, X.K. Chen, H. Nakanotani, T. Hosokai, M. Miyajima, N. Notsuka, Y. Kashima, J.L. Brédas, and C. Adachi, “Critical Role of Intermediate Electronic States for Spin-flip Processes in Multi-donor-acceptor Charge-transfer-type Organic Molecules”, Nature Materials, 18, 1084-1090 (2019).

  21. J. Yin, P. Maity, R. Naphade, B. Cheng, J-H. He, O.M. Bakr, J.L. Brédas, O.F. Mohammed, “Tuning Hot Carrier Cooling Dynamics by Dielectric Confinement in Two-Dimensional Hybrid Perovskite Crystals”, ACS Nano, 13, 12621-12629 (2019).

  22. R.R. Dasari, X. Wang, R.A. Wiscons, H.F. Haneef, A. Ashokan, Y. Zhang, M.S. Fonari, S. Barlow, V. Coropceanu, T. V. Timofeeva, O.D. Jurchescu, J.L. Brédas, A.J. Matzger, and S.R. Marder, “Charge-Transport Properties of F6TNAP-based Charge-Transfer Cocrystals”, Advanced Functional Materials, 1904858/01-12 (2019).

  23. S.F. Zhang, X.K. Chen, A.M. Ren, H. Li, and J.L. Brédas, “Impact of Organic Spacers on the Carrier Dynamics in 2D Hybrid Lead-Halide Perovskites”, ACS Energy Letters, 4, 17-25 (2019).

  24. T. Joshi, C.Chen, H.F. Li, C. Diercks, G. Wang, P.J. Waller, H. Li, J.L. Brédas, O.M. Yaghi, and M.F. Crommie, “Local Electronic Structure of Molecular Heterojunctions in a Single-Layer 2D Covalent Organic Framework”, Advanced Materials, 31, 1805941/01-06 (2019).

  25. J.L. Brédas, J.M. Buriak, F. Caruso, K.S. Choi, B.A. Korgel, M.R. Palacin, K. Persson, E. Reichmanis, F. Schuth, R. Seshadri, and M. Ward, “An Electrifying Choice for the 2019 Chemistry Nobel Prize: Goodenough, Whittingham, and Yoshino”, Chemistry of Materials, 31, 8577-8581 (2019).

  26. I. Castano, A.M. Evans, H. Li, E. Vitaku, M.J. Strauss, J.L. Brédas, N.C. Gianneschi, and W.R. Dichtel, “Chemical Control over Nucleation and Anisotropic Growth of Two-Dimensional Covalent Organic Frameworks”, ACS Central Science, 5, 1892-1899 (2019).

  27. A.L. Jones, Z.L. Zheng, P. Riley, I. Pelse, J.X. Zhang, M. Abdelsamie, M.F. Toney, S.R. Marder, F. So, J.L. Brédas, and J.R. Reynolds, “Acceptor Gradient Polymer Donors for Non-Fullerene Organic Solar Cells”, Chemistry of Materials, 31, 9729-9741 (2019).

  1. X. - K. Chen, Coropceanu, V., and Brédas, J. - L., “Assessing the nature of the charge-transfer electronic states in organic solar cells”, Nature Communications, vol. 9, no. 1, 2018.

  2. H. Li, Tessler, N., and Bredas, J. - L., “Assessment of the Factors Influencing Charge-Carrier Mobility Measurements in Organic Field-Effect Transistors”, Advanced Functional Materials, vol. 28, no. 39, p. 1803096, 2018.

  3. T. O. Lopes, Machado, D. F. Scalabr, Risko, C., Bredas, J. - L., and de Oliveira, H. C. B., “Bond Ellipticity Alternation: An Accurate Descriptor of the Nonlinear Optical Properties of π-Conjugated Chromophores”, The Journal of Physical Chemistry Letters, pp. 1377 - 1383, 2018.

  4. T. Wang, Chen, X. - K., Ashokan, A., Zheng, Z., Ravva, M. Kumar, and Bredas, J. - L., “Bulk Heterojunction Solar Cells: Impact of Minor Structural Modifications to the Polymer Backbone on the Polymer-Fullerene Mixing and Packing and on the Fullerene-Fullerene Connecting Network”, Advanced Functional Materials, p. 1705868, 2018.

  5. S. Silver, Yin, J., Li, H., Bredas, J. - L., and Kahn, A., “Characterization of the Valence and Conduction Band Levels of n = 1 2D Perovskites: A Combined Experimental and Theoretical Investigation”, Advanced Energy Materials, vol. 1703468, pp. 1-7, 2018.

  6. H. - Y. Chen, Schweicher, G., Planells, M., Ryno, S. M., Broch, K., White, A. J. P., Simatos, D., Little, M., Jellett, C., Cryer, S. J., Marks, A., Hurhangee, M., Bredas, J. - L., Sirringhaus, H., and McCulloch, I., “Crystal Engineering of Dibenzothiophenothieno[3,2- b ]thiophene (DBTTT) Isomers for Organic Field-Effect Transistors”, Chemistry of Materials, vol. 30, no. 21, pp. 7587 - 7592, 2018.

  7. D. Qian, Zheng, Z., Yao, H., Tress, W., Hopper, T. R., Chen, S., Li, S., Liu, J., Chen, S., Zhang, J., Liu, X. - K., Gao, B., Ouyang, L., Jin, Y., Pozina, G., Buyanova, I. A., Chen, W. M., äs, O., Coropceanu, V., Bredas, J. - L., Yan, H., Hou, J., Zhang, F., Bakulin, A. A., and Gao, F., “Design rules for minimizing voltage losses in high-efficiency organic solar cells”, Nature Materials, vol. 17, no. 8, pp. 703 - 709, 2018.

  8. R. N. Goud, Zhang, X., Bredas, J. - L., Coropceanu, V., and Matzger, A. J., “Discovery of Non-linear Optical Materials by Function-Based Screening of Multi-component Solids”, Chem, vol. 4, no. 1, pp. 150 - 161, 2018.

  9. B. Xu, Yi, X., Huang, T. - Y., Zheng, Z., Zhang, J., Salehi, A., Coropceanu, V., Ho, C. Hoi Yi, Marder, S. R., Toney, M. F., Bredas, J. - L., So, F., and Reynolds, J. R., “Donor Conjugated Polymers with Polar Side Chain Groups: The Role of Dielectric Constant and Energetic Disorder on Photovoltaic Performance”, Advanced Functional Materials, vol. 28, no. 46, p. 1803418, 2018.

  10. J. T. Ly, Burnett, E. K., Thomas, S., Aljarb, A., Liu, Y., Park, S., Rosa, S., Yi, Y., Lee, H., Emrick, T., Russell, T. P., Bredas, J. - L., and Briseno, A. L., “Efficient Electron Mobility in an All-Acceptor Napthalenediimide-Bithiazole Polymer Semiconductor with Large Backbone Torsion”, ACS Applied Materials & Interfaces, vol. 10, no. 46, pp. 40070 - 40077, 2018.

  11. C. Kin Lo, Gautam, B. R., Selter, P., Zheng, Z., Oosterhout, S. D., Constantinou, I., Knitsch, R., Wolfe, R. M. W., Yi, X., Bredas, J. - L., So, F., Toney, M. F., Coropceanu, V., Hansen, M. Ryan, Gundogdu, K., and Reynolds, J. R., “Every Atom Counts: Elucidating the Fundamental Impact of Structural Change in Conjugated Polymers for Organic Photovoltaics”, Chemistry of Materials, vol. 30, no. 9, pp. 2995 - 3009, 2018.

  12. A. Onwubiko, Yue, W., Jellett, C., Xiao, M., Chen, H. - Y., Ravva, M. Kumar, Hanifi, D. A., Knall, A. - C., Purushothaman, B., Nikolka, M., Flores, J. - C., Salleo, A., Bredas, J. - L., Sirringhaus, H., Hayoz, P., and McCulloch, I., “Fused electron deficient semiconducting polymers for air stable electron transport”, Nature Communications, no. 1, 2018.

  13. A. Oranskaia, Yin, J., Bakr, O. M., Bredas, J. - L., and Mohammed, O. F., “Halogen Migration in Hybrid Perovskites: The Organic Cation Matters”, The Journal of Physical Chemistry Letters, vol. 9, no. 18, pp. 5474 - 5480, 2018.

  14. D. - H. Kim, Aléo, A. ’, Chen, X. - K., Sandanayaka, A. D. S., Yao, D., Zhao, L., Komino, T., Zaborova, E., Canard, G., Tsuchiya, Y., Choi, E., Wu, J. Weon, Fages, F., Bredas, J. - L., Ribierre, J. - C., and Adachi, C., “High-efficiency electroluminescence and amplified spontaneous emission from a thermally activated delayed fluorescent near-infrared emitter”, Nature Photonics, vol. 12, no. 2, pp. 98 - 104, 2018.

  15. H. Li, Li, H., Dai, Q., Li, H., and Bredas, J. - L., “Hydrolytic Stability of Boronate Ester-Linked Covalent Organic Frameworks”, Advanced Theory and Simulations, vol. 13, no. 2, p. 1700015, 2018.

  16. J. Noh, Li, H., Osman, O. I., Aziz, S. G., Winget, P., and Bredas, J. - L., “Impact of Hydroxylation and Hydration on the Reactivity of α-Fe 2 O 3 (0001) and (11¯02) Surfaces under Environmental and Electrochemical Conditions”, Advanced Energy Materials, vol. 8, no. 21, p. 1800545, 2018.

  17. Z. Tu, Yi, Y., Coropceanu, V., and Bredas, J. - L., “Impact of Phonon Dispersion on Nonlocal Electron-Phonon Couplings in Organic Semiconductors: The Naphthalene Crystal as a Case Study”, The Journal of Physical Chemistry Part C: Energy Conversion and Storage, Optical and Electronic Devices, Interfaces, Nanomaterials, and Hard Matter, C: Energy Conversion and Storage; Energy and Charge Transport, vol. 122, pp. 44-49, 2018.

  18. A. Ashokan, Wang, T., Ravva, M. Kumar, and Bredas, J. - L., “Impact of solution temperature-dependent aggregation on the solid-state packing and electronic properties of polymers for organic photovoltaics”, Journal of Materials Chemistry C, vol. 6, no. 4, pp. 13162 - 13170, 2018.

  19. B. Gautam, Klump, E., Yi, X., Constantinou, I., Shewmon, N., Salehi, A., Lo, C. Kin, Zheng, Z., Bredas, J. - L., Gundogdu, K., Reynolds, J. R., and So, F., “Increased Exciton Delocalization of Polymer upon Blending with Fullerene”, Advanced Materials, vol. 3, no. 30, p. 1801392, 2018.

  20. H. Li and Bredas, J. - L., “Large Out-of-Plane Deformations of Two-Dimensional Covalent Organic Framework (COF) Sheets”, The Journal of Physical Chemistry Letters, vol. 9, no. 15, pp. 4215 - 4220, 2018.

  21. J. Yin, Maity, P., Xu, L., El-Zohry, A. M., Li, H., Bakr, O. M., Bredas, J. - L., and Mohammed, O. F., “Layer-Dependent Rashba Band Splitting in 2D Hybrid Perovskites”, Chemistry of Materials, vol. 30, no. 23, pp. 8538 - 8545, 2018.

  22. H. Li and Bredas, J. - L., “Modeling of Actual-Size Organic Electronic Devices from Efficient Molecular-Scale Simulations”, Advanced Functional Materials, vol. 28, no. 29, p. 1801460, 2018.

  23. H. Ye, Kim, D. Hyeon, Chen, X., Sandanayaka, A. S. D., Kim, J. Uk, Zaborova, E., Canard, G., Tsuchiya, Y., Choi, E. Young, Wu, J. Weon, Fages, édéric, Bredas, J. - L., Aléo, A. ’, Ribierre, J. - C., and Adachi, C., “Near-Infrared Electroluminescence and Low Threshold Amplified Spontaneous Emission above 800 nm from a Thermally Activated Delayed Fluorescent Emitter”, Chemistry of Materials, vol. 30, no. 19, pp. 6702 - 6710, 2018.

  24. J. Yin, Yang, H., Song, K., El-Zohry, A. M., Han, Y., Bakr, O. M., Bredas, J. - L., and Mohammed, O. F., “Point Defects and Green Emission in Zero-Dimensional Perovskites”, The Journal of Physical Chemistry Letters, vol. 9, no. 18, pp. 5490 - 5495, 2018.

  25. H. Li and Bredas, J. - L., “Quasi-One-Dimensional Charge Transport Can Lead to Nonlinear Current Characteristics in Organic Field-Effect Transistors”, The Journal of Physical Chemistry Letters, vol. 9, no. 22, pp. 6550 - 6555, 2018.

  26. H. Liao, Xiao, C., Ravva, M. Kumar, Wang, Y., Little, M., Jenart, M. V. C., Onwubiko, A., Li, Z., Wang, Z., Bredas, J. - L., McCulloch, I., and Yue, W., “Synthesis and properties of isoindigo and benzo[1,2- b :4,5- b ′]bis[ b ]benzothiophene oligomers”, Chemical Communications, vol. 54, no. 79, pp. 11152 - 11155, 2018.

  27. X. - K. Chen, Kim, D., and Bredas, J. - L., “Thermally Activated Delayed Fluorescence (TADF) Path toward Efficient Electroluminescence in Purely Organic Materials: Molecular Level Insight”, Accounts of Chemical Research, vol. 51, no. 9, pp. 2215 - 2224, 2018.

  28. Z. Yuan, Buckley, C., Thomas, S., Zhang, G., Bargigia, I., Wang, G., Fu, B., Silva, C., Bredas, J. - L., and Reichmanis, E., “A Thiazole–Naphthalene Diimide Based n-Channel Donor–Acceptor Conjugated Polymer”, Macromolecules, vol. 51, no. 18, pp. 7320 - 7328, 2018.

  29. J. - L. Bredas, Li, Y., Sun, H., and Zhong, C., “Why Can High Charge-Carrier Mobilities be Achieved Along π-Conjugated Polymer Chains with Alternating Donor-Acceptor Moieties?”, Advanced Theory and Simulations, vol. 13, no. 7, p. 1800016, 2018.

  30. Ye, L., Hu, H., Ghasemi, M., Wang, T., Collins, B., Kim, J. H., Jiang, K., Carpenter, J., Li, H., Li, Z., Mcafee, T., Zhao, J., Chen, X., Lai, J. Y. L., Ma, T., Brédas, J. L., and Mohammed, O., “Quantitative relations between interaction parameter, miscibility and function in organic solar cells”, Nature Materials, 17, 253, 2018.

  1. Y. Li, Li, H., Zhong, C., Sini, G., and Brédas, J. L., “Characterization of Intrinsic Hole Transport in Single-crystal Spiro-OMeTAD”, Nature PG – Flexible Electronics , 2017.

  2. S. Joseph, Ravva, M. K., and Brédas, J. L., “Charge-Transfer Dynamics in the Lowest Excited State of a Pentacene-Fullerene Complex: Implications for Organic Solar Cells”, Journal of Physical Chemistry Letters, vol. 8, pp. 5171-5176, 2017.

  3. Z. Zheng, Tummala, N. Rajesh, Fu, Y. - T., Coropceanu, V., and Bredas, J. - L., “Charge-Transfer States in Organic Solar Cells: Understanding the Impact of Polarization, Delocalization, and Disorder”, ACS Applied Materials & Interfaces, vol. 9, no. 21, pp. 18095 - 18102, 2017.

  4. K. Do, Ravva, M. Kumar, Wang, T., and Bredas, J. - L., “Computational Methodologies for Developing Structure–Morphology–Performance Relationships in Organic Solar Cells: A Protocol Review”, Chemistry of Materials, vol. 29, no. 1, pp. 346 - 354, 2017.

  5. M. Timpel, Li, H., Petrie, N., Marder, S., Barlow, S., Marcovittorio, N., Brédas, J. L., Wegner, B., Frisch, J., and Koch, N., “Electrode Work Function Engineering with Phosphonic Acid Monolayers and Molecular Acceptors: Charge Redistribution Mechanisms”, Advanced Functional Materials , 2017.

  6. J. Yin, Li, H., Cortecchia, D., Soci, C., and Bredas, J. - L., “Excitonic and Polaronic Properties of 2D Hybrid Organic–Inorganic Perovskites”, ACS Energy Letters, vol. 2, no. 2, pp. 417 - 423, 2017.

  7. M. Nikolka, Nasrallah, I., Rose, B., Ravva, M. K., Broch, K., Harkin, D., Charmet, J., Hurhangee, M., Brown, A., Illig, S., Too, P., Jongman, J., McCulloch, I., Brédas, J. L., and Sirringhaus, H., “High Operational and Environmental Stability of High-Mobility Conjugated Polymer Field-Effect Transistors Achieved through the Use of Molecular Additives”, Nature Materials, vol. 16, pp. 356-362, 2017.

  8. R. Steyrleuthner, Zhang, Y., Zhang, L., Kraffert, F., Cherniawski, B. P., Bittl, R., Briseno, A. L., Bredas, J. - L., and Behrends, J., “Impact of morphology on polaron delocalization in a semicrystalline conjugated polymer”, Physical Chemistry Chemical Physics, vol. 19, pp. 3627 - 3639, 2017.

  9. V. Coropceanu, Brédas, J. L., and Mehraeen, S., “Impact of the Active Layer Morphology on Bimolecular Recombination Dynamics in Organic Solar Cells”, Journal of Physical Chemistry C, vol. 121, pp. 24954-24961, 2017.

  10. J. Yin, Zhang, Y., Bruno, A., Soci, C., Bakr, O., Brédas, J. L., and Mohammed, O., “Intrinsic Lead Ion Emissions in Zero-Dimensional Cs4PbBr6 Nanocrystals”, ACS Energy Letters , vol. 2, pp. 2805-2811, 2017.

  11. L. Shengjian, Firdaus, Y., Thomas, S., Kan, Z., Cruciani, F., Lopatin, S., Brédas, J. L., and Beaujuge, P. M., “Isoindigo-3,4-Difluorothiophene Polymer Acceptors Yield "All-Polymer" BHJ Solar Cells with >7% Efficiency”, Angewandte Chemie, 2017.

  12. J. Yin, Maity, P., Bastiani, M. D., Bakr, O. M., Brédas, J. L., and Mohammed, O. F., “Molecular Behavior of Zero-Dimensional Perovskites”, Science Advances , vol. 3, no. el701793, 2017.

  13. S. M. Ryno, Ravva, M. Kumar, Chen, X., Li, H., and Bredas, J. - L., “Molecular Understanding of Fullerene - Electron Donor Interactions in Organic Solar Cells”, Advanced Energy Materials, vol. 7, no. 10, p. 1601370, 2017.

  14. X. - K. Chen, Tsuchiya, Y., Ishikawa, Y., Zhong, C., Adachi, C., and Bredas, J. - L., “A New Design Strategy for Efficient Thermally Activated Delayed Fluorescence Organic Emitters: From Twisted to Planar Structures”, Advanced Materials, no. 46, p. 1702767, 2017.

  15. M. Kumar Ravva, Risko, C., and Bredas, J. - L., “Non-Covalent Interactions in Quantum Chemistry and PhysicsNoncovalent Interactions in Organic Electronic Materials”. Elsevier, 2017, pp. 277 - 302.

  16. H. Li, Chavez, A., Li, H., Dichtel, W., and Brédas, J. L., “Nucleation and Growth of Covalent Organic Frameworks from Solution: The Example of COF-5”, Journal of the American Chemical Society, vol. 139, pp. 16310-16318, 2017.

  17. G. O. Ngongan Ndjawa, Graham, K. R., Mollinger, S., Wu, D. M., Hanifu, D., Prasanna, R., Rose, B. D., Dey, S., Yu, L., Brédas, J. L., McGehee, M. D., Salleo, A., and Amassian, A., “Open-Circuit Voltage in Organic Solar Cells: The Implants of Donor Semicrystallinity and Coexistence of Multiple Interfacial Charge-Transfer Bands”, Advanced Energy Materials, vol. 7, 1601995, 2017.

  18. J. - L. Bredas, “Organic Electronics: Does a Plot of the HOMO–LUMO Wave Functions Provide Useful Information?”, Chemistry of Materials, vol. 29, no. 2, pp. 477 - 478, 2017.

  19. C. Sutton, Tummala, N. Rajesh, Beljonne, D., and Bredas, J. - L., “Singlet Fission in Rubrene Derivatives: Impact of Molecular Packing”, Chemistry of Materials, vol. 29, no. 7, pp. 2777 - 2787, 2017.

  20. R. Hilal, Aziz, S. G., Osman, O. I., and Brédas, J. L., “Time Dependent – Density Functional Theory Characterization of Organic Dyes for Dye-sensitized Solar Cells”, Molecular Simulation, vol. 43, pp. 1523-1531, 2017.

  21. C. Zhou, Cui, Q., McDowell, C., Seifrid, M., Chen, X., Brédas, J. L., Wang, M., Huang, F., and Bazan, G. C., “Topological Transformation of π-Conjugated Molecules Reduces Resistance to Crystallization”, Angewandte Chemie, vol. 56, pp. 9318-9321, 2017.

  22. P. K. Samanta, Kim, D., Coropceanu, V., and Bredas, J. - L., “Up-Conversion Intersystem Crossing Rates in Organic Emitters for Thermally Activated Delayed Fluorescence: Impact of the Nature of Singlet vs Triplet Excited States”, Journal of the American Chemical Society, vol. 139, no. 11, pp. 4042 - 4051, 2017.

  23. X. - K. Chen and Bredas, J. - L., “Voltage Losses in Organic Solar Cells: Understanding the Contributions of Intramolecular Vibrations to Nonradiative Recombinations”, Advanced Energy Materials , no. 1702227, 2017.

  1. R. L. Gieseking, Ravva, M. Kumar, Coropceanu, V., and Bredas, J. - L., “Benchmarking Density Functional Theory Approaches for the Description of Symmetry Breaking in Long Polymethine Dyes”, The Journal of Physical Chemistry C, vol. 120, no. 18, pp. 9975 - 9984, 2016.

  2. S. Sweetnam, Vandewal, K., Cho, E., Risko, C., Coropceanu, V., Salleo, A., Bredas, J. - L., and McGehee, M. D., “Characterizing the Polymer:Fullerene Intermolecular Interactions”, Chemistry of Materials, vol. 28, no. 5, pp. 1446 - 1452, 2016.

  3. Y. Zhang, Steyrleuthner, R., and Bredas, J. - L., “Charge Delocalization in Oligomers of Poly(2,5-bis(3-alkylthiophene-2-yl)thieno[3,2- b ]thiophene) (PBTTT)”, The Journal of Physical Chemistry C, vol. 120, no. 18, pp. 9671 - 9677, 2016.

  4. Z. Zheng, Bredas, J. - L., and Coropceanu, V., “Description of the Charge Transfer States at the Pentacene/C 60 Interface: Combining Range-Separated Hybrid Functionals with the Polarizable Continuum Model”, The Journal of Physical Chemistry Letters, vol. 7, no. 13, pp. 2616 - 2621, 2016.

  5. X. - K. Chen, Ravva, M. Kumar, Li, H., Ryno, S. M., and Bredas, J. - L., “Effect of Molecular Packing and Charge Delocalization on the Nonradiative Recombination of Charge-Transfer States in Organic Solar Cells”, Advanced Energy Materials, vol. 6, no. 24, p. 1601325, 2016.

  6. M. Hong, Ravva, M. Kumar, Winget, P., and Bredas, J. - L., “Effect of Substituents on the Electronic Structure and Degradation Process in Carbazole Derivatives for Blue OLED Host Materials”, Chemistry of Materials, vol. 28, no. 16, pp. 5791 - 5798, 2016.

  7. K. Do, Saleem, Q., Ravva, M. Kumar, Cruciani, F., Kan, Z., Wolf, J., Hansen, M. Ryan, Beaujuge, P. M., and Bredas, J. - L., “Impact of Fluorine Substituents on π-Conjugated Polymer Main-Chain Conformations, Packing, and Electronic Couplings”, Advanced Materials, vol. 2, no. 37, pp. 8197 - 8205, 2016.

  8. S. M. Ryno, Risko, C., and Bredas, J. - L., “Impact of Molecular Orientation and Packing Density on Electronic Polarization in the Bulk and at Surfaces of Organic Semiconductors”, ACS Applied Materials & Interfaces, vol. 8, no. 22, pp. 14053 - 14062, 2016.

  9. H. Sun, Ryno, S., Zhong, C., Ravva, M. Kumar, Sun, Z., örzdörfer, T., and Bredas, J. - L., “Ionization Energies, Electron Affinities, and Polarization Energies of Organic Molecular Crystals: Quantitative Estimations from a Polarizable Continuum Model (PCM)-Tuned Range-Separated Density Functional Approach”, Journal of Chemical Theory and Computation, vol. 12, no. 6, pp. 2906 - 2916, 2016.

  10. R. L. Gieseking, Risko, C., Marder, S. R., and Bredas, J. - L., Materials and EnergyThe WSPC Reference on Organic Electronics: Organic Semiconductors Understanding the Relationships Among Molecular Structure, Excited-State Properties, and Polarizabilities of π -Conjugated Chromophores, vol. 1. WORLD SCIENTIFIC, 2016, pp. 393 - 419.

  11. J. - L. Bredas, Marder, S. R., and örzdörfer, T., Materials and Energy The WSPC Reference on Organic Electronics: Organic Semiconductors DFT 101 and Applications to π -Conjugated Systems, vol. 1. WORLD SCIENTIFIC, 2016, pp. 19 - 52.

  12. J. - L. Bredas and Marder, S. R., Materials and Energy The WSPC Reference on Organic Electronics: Organic Semiconductors An Introduction to the Electronic Structure of π -Conjugated Molecules and Polymers, and to the Concept of Electronic Bands, vol. 1. WORLD SCIENTIFIC, 2016, pp. 1 - 18.

  13. M. Kumar Ravva, Wang, T., and Bredas, J. - L., “Nature of the Binding Interactions between Conjugated Polymer Chains and Fullerenes in Bulk Heterojunction Organic Solar Cells”, Chemistry of Materials, vol. 28, no. 22, pp. 8181 - 8189, 2016.

  14. S. M. Ryno, Risko, C., and Bredas, J. - L., “Noncovalent Interactions and Impact of Charge Penetration Effects in Linear Oligoacene Dimers and Single Crystals”, Chemistry of Materials, vol. 28, no. 11, pp. 3990 - 4000, 2016.

  15. N. Rajesh Tummala, Elroby, S. A., Aziz, S. G., Risko, C., Coropceanu, V., and Bredas, J. - L., “Packing and Disorder in Substituted Fullerenes”, The Journal of Physical Chemistry C, vol. 120, no. 31, pp. 17242 - 17250, 2016.

  16. S. A. Paniagua, Giordano, A. J., Smith, ’N. L., Barlow, S., Li, H., Armstrong, N. R., Pemberton, J. E., Bredas, J. - L., Ginger, D., and Marder, S. R., “Phosphonic Acids for Interfacial Engineering of Transparent Conductive Oxides”, Chemical Reviews, vol. 116, no. 12, pp. 7117 - 7158, 2016.

  17. J. - L. Bredas, Sargent, E. H., and Scholes, G. D., “Photovoltaic concepts inspired by coherence effects in photosynthetic systems”, Nature Materials, no. 1, pp. 35 - 44, 2016.

  18. L. L. Kelly, Racke, D. A., Schulz, P., Li, H., Winget, P., Kim, H., Ndione, P., Sigdel, A. K., Bredas, J. - L., Berry, J. J., Graham, S., and Monti, O. L. A., “Spectroscopy and control of near-surface defects in conductive thin film ZnO”, Journal of Physics: Condensed Matter, vol. 28, no. 9, p. 094007, 2016.

  19. D. Shi, Qin, X., Li, Y., He, Y., Zhong, C., Pan, J., Dong, H., Xu, W., Li, T., Hu, W., Bredas, J. L., and Bakr, O. M., “Spiro-OMeTAD single crystals: Remarkably enhanced charge-carrier transport via mesoscale ordering”, Science Advances, vol. 2, no. 4, pp. e1501491 - e1501491, 2016.

  20. Y. Wu, Chew, A. R., Rojas, G. A., Sini, G., Haugstad, G., Belianinov, A., Kalinin, S. V., Li, H., Risko, C., Bredas, J. - L., Salleo, A., and C. Frisbie, D., “Strain effects on the work function of an organic semiconductor”, Nature Communications, vol. 7, p. 10270, 2016.

  21. E. Mosconi, Salvatori, P., Saba, M. Ilenia, Mattoni, A., Bellani, S., Bruni, F., Gonzalez, B. Santiago, Antognazza, M. Rosa, Brovelli, S., Lanzani, G., Li, H., Bredas, J. - L., and De Angelis, F., “Surface Polarization Drives Photoinduced Charge Separation at the P3HT/Water Interface”, ACS Energy Letters, vol. 1, no. 2, pp. 454 - 463, 2016.

  22. G. Conboy, Spencer, H. J., Angioni, E., Kanibolotsky, A. L., Findlay, N. J., Coles, S. J., Wilson, C., Pitak, M. B., Risko, C., Coropceanu, V., Bredas, J. - L., and Skabara, P. J., “To bend or not to bend – are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity?”, Materials Horizons, vol. 3, no. 4, pp. 333 - 339, 2016.

  23. Z. Yuan, Fu, B., Thomas, S., Zhang, S., DeLuca, G., Chang, R., Lopez, L., Fares, C., Zhang, G., Bredas, J. - L., and Reichmanis, E., “Unipolar Electron Transport Polymers: A Thiazole Based All-Electron Acceptor Approach”, Chemistry of Materials, vol. 28, no. 17, pp. 6045 - 6049, 2016.

  24. A. S. Hyla, Winget, P., Li, H., Risko, C., and Bredas, J. - L., “Work function reduction by a redox-active organometallic sandwich complex”, Organic Electronics, vol. 37, pp. 263 - 270, 2016.