All Stories

  1. The role of crystal packing on the optical response of trialkyltetrelethynyl acenes

    Article • The Journal of Chemical Physics, August 2022, American Institute of Physics

    Professor Chad Risko

  2. Easy-to-use python based optimization routine

    Article • ACM Transactions on Mathematical Software, June 2022, ACM (Association for Computing Machinery)

    Professor Chad Risko, Balaji Pokuri

  3. OCELOT: An infrastructure for data-driven research to discover and design crystalline organic semiconductors

    Article • The Journal of Chemical Physics, May 2021, American Institute of Physics

    Professor Chad Risko

  4. Heteroannulated acceptors based on benzothiadiazole

    Article • Materials Horizons, January 2015, Royal Society of Chemistry

    Professor Chad Risko

  5. The fate of phenothiazine-based redox shuttles in lithium-ion batteries

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Professor Chad Risko

  6. Effect of Bulky Substituents on Thiopyrylium Polymethine Aggregation in the Solid State: A Theoretical Evaluation of the Implications for All-Optical Switching Applications

    Article • Chemistry of Materials, November 2014, American Chemical Society (ACS)

    Professor Chad Risko

  7. Impact of Bulk Aggregation on the Electronic Structure of Streptocyanines: Implications for the Solid-State Nonlinear Optical Properties and All-Optical Switching Applications

    Article • The Journal of Physical Chemistry C, October 2014, American Chemical Society (ACS)

    Professor Chad Risko

  8. Dimers of Nineteen‐Electron Sandwich Compounds: Crystal and Electronic Structures, and Comparison of Reducing Strengths

    Article • Chemistry - A European Journal, October 2014, Wiley

    Professor Chad Risko

  9. Influence of Molecular Shape on Solid-State Packing in Disordered PC61BM and PC71BM Fullerenes

    Article • The Journal of Physical Chemistry Letters, September 2014, American Chemical Society (ACS)

    Professor Chad Risko

  10. Theoretical description of the geometric and electronic structures of organic-organic interfaces in organic solar cells: a brief review

    Article • Science China Chemistry, August 2014, Springer Science + Business Media

    Professor Chad Risko

  11. Modeling OPV Performance—Morphology, Transport and Recombination

    Article • August 2014, Taylor & Francis

    Professor Chad Risko

  12. Polymethine materials with solid-state third-order optical susceptibilities suitable for all-optical signal-processing applications

    Article • Materials Horizons, June 2014, Royal Society of Chemistry

    Professor Chad Risko

  13. Interfaces: Structure and Disorder in Squaraine–C60 Organic Solar Cells: A Theoretical Description of Molecular Packing and Electronic Coupling at the Donor–Acceptor Interface (Adv. Funct. Mater. 24/2014)

    Article • Advanced Functional Materials, June 2014, Wiley

    Professor Abdullah M. Asiri, Professor Chad Risko

  14. Impact of Molecular Packing on Electronic Polarization in Organic Crystals: The Case of Pentacene vs TIPS-Pentacene

    Article • Journal of the American Chemical Society, April 2014, American Chemical Society (ACS)

    Professor Chad Risko

  15. Ring Substituents Mediate the Morphology of PBDTTPD-PCBM Bulk-Heterojunction Solar Cells

    Article • Chemistry of Materials, March 2014, American Chemical Society (ACS)

    Professor Chad Risko

  16. Impact of the Nature of the Excited-State Transition Dipole Moments on the Third-Order Nonlinear Optical Response of Polymethine Dyes for All-Optical Switching Applications

    Article • ACS Photonics, March 2014, American Chemical Society (ACS)

    Professor Chad Risko

  17. Structure and Disorder in Squaraine–C60 Organic Solar Cells: A Theoretical Description of Molecular Packing and Electronic Coupling at the Donor–Acceptor Interface

    Article • Advanced Functional Materials, February 2014, Wiley

    Professor Abdullah M. Asiri, Professor Chad Risko, Prof. Dr. Abdullah M. Asiri

  18. Substrate-Induced Variations of Molecular Packing, Dynamics, and Intermolecular Electronic Couplings in Pentacene Monolayers on the Amorphous Silica Dielectric

    Article • ACS Nano, January 2014, American Chemical Society (ACS)

    Professor Chad Risko

  19. Interplay of alternative conjugated pathways and steric interactions on the electronic and optical properties of donor–acceptor conjugated polymers

    Article • Journal of Materials Chemistry C, January 2014, Royal Society of Chemistry

    Professor Chad Risko

  20. Polymethines with Macroscopic Optical Nonlinearities Suitable for All-Optical Signal Processing

    Article • January 2014, Optical Society of America (OSA)

    Professor Chad Risko

  21. Understanding the Electronic Structure of Isoindigo in Conjugated Systems: A Combined Theoretical and Experimental Approach.

    Article • Macromolecules, November 2013, American Chemical Society (ACS)

    Professor Chad Risko

  22. Healing contact

    Article • Nature Materials, October 2013, Springer Science + Business Media

    Professor Chad Risko

  23. 25th Anniversary Article: Design of Polymethine Dyes for All‐Optical Switching Applications: Guidance from Theoretical and Computational Studies

    Article • Advanced Materials, October 2013, Wiley

    Professor Chad Risko

  24. Electronic Polarization Effects upon Charge Injection in Oligoacene Molecular Crystals: Description via a Polarizable Force Field

    Article • The Journal of Physical Chemistry C, June 2013, American Chemical Society (ACS)

    Professor Chad Risko

  25. Materials‐Scale Implications of Solvent and Temperature on [6,6]‐Phenyl‐C61‐butyric Acid Methyl Ester (PCBM): A Theoretical Perspective

    Article • Advanced Functional Materials, June 2013, Wiley

    Professor Chad Risko

  26. Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties

    Article • Chemistry of Materials, May 2013, American Chemical Society (ACS)

    Professor Chad Risko

  27. Charge Delocalization through Benzene, Naphthalene, and Anthracene Bridges in π-Conjugated Oligomers: An Experimental and Quantum Chemical Study

    Article • The Journal of Physical Chemistry B, May 2013, American Chemical Society (ACS)

    Professor Chad Risko

  28. Characterization of Charge-Carrier Transport in Semicrystalline Polymers: Electronic Couplings, Site Energies, and Charge-Carrier Dynamics in Poly(bithiophene-alt-thienothiophene) [PBTTT]

    Article • The Journal of Physical Chemistry C, January 2013, American Chemical Society (ACS)

    Professor Chad Risko

  29. Tuning the electronic and photophysical properties of heteroleptic iridium(iii) phosphorescent emitters through ancillary ligand substitution: a theoretical perspective

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Professor Chad Risko

  30. Structural dependence of the optical properties of narrow bandgap semiconductors with orthogonal donor–acceptor geometries

    Article • Chemical Science, January 2013, Royal Society of Chemistry

    Professor Chad Risko

  31. Structure–processing–property correlations in solution-processed, small-molecule, organic solar cells

    Article • Journal of Materials Chemistry C, January 2013, Royal Society of Chemistry

    Professor Chad Risko

  32. Bis(carbazolyl) derivatives of pyrene and tetrahydropyrene: synthesis, structures, optical properties, electrochemistry, and electroluminescence

    Article • Journal of Materials Chemistry C, January 2013, Royal Society of Chemistry

    Professor Chad Risko, Professor Bilal R. Kaafarani

  33. Benzo[1,2-b:6,5-b′]dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport

    Article • Journal of Materials Chemistry C, January 2013, Royal Society of Chemistry

    Yulia Getmanenko, Professor Chad Risko

  34. Small Optical Gap Molecules and Polymers: Using Theory to Design More Efficient Materials for Organic Photovoltaics

    Article • January 2013, Springer Science + Business Media

    Professor Chad Risko

  35. Intermixing at the Pentacene‐Fullerene Bilayer Interface: A Molecular Dynamics Study

    Article • Advanced Materials, November 2012, Wiley

    Professor Chad Risko

  36. Cover Picture: n‐Doping of Organic Electronic Materials Using Air‐Stable Organometallics: A Mechanistic Study of Reduction by Dimeric Sandwich Compounds (Chem. Eur. J. 46/2012)

    Article • Chemistry - A European Journal, November 2012, Wiley

    Professor Chad Risko

  37. n‐Doping of Organic Electronic Materials Using Air‐Stable Organometallics: A Mechanistic Study of Reduction by Dimeric Sandwich Compounds

    Article • Chemistry - A European Journal, October 2012, Wiley

    Professor Chad Risko

  38. Use of X‐Ray Diffraction, Molecular Simulations, and Spectroscopy to Determine the Molecular Packing in a Polymer‐Fullerene Bimolecular Crystal

    Article • Advanced Materials, September 2012, Wiley

    Professor Chad Risko

  39. Factors Governing Intercalation of Fullerenes and Other Small Molecules Between the Side Chains of Semiconducting Polymers Used in Solar Cells

    Article • Advanced Energy Materials, August 2012, Wiley

    Professor Chad Risko

  40. Donor–Acceptor Copolymers of Relevance for Organic Photovoltaics: A Theoretical Investigation of the Impact of Chemical Structure Modifications on the Electronic and Optical Properties

    Article • Macromolecules, July 2012, American Chemical Society (ACS)

    Professor Chad Risko

  41. Tuning Delocalization in the Radical Cations of 1,4-Bis[4-(diarylamino)styryl]benzenes, 2,5-Bis[4-(diarylamino)styryl]thiophenes, and 2,5-Bis[4-(diarylamino)styryl]pyrroles through Substituent Effects

    Article • Journal of the American Chemical Society, June 2012, American Chemical Society (ACS)

    Professor Chad Risko

  42. Synthetic Principles Directing Charge Transport in Low-Band-Gap Dithienosilole–Benzothiadiazole Copolymers

    Article • Journal of the American Chemical Society, May 2012, American Chemical Society (ACS)

    Professor Chad Risko

  43. Controlled Conjugated Backbone Twisting for an Increased Open-Circuit Voltage while Having a High Short-Circuit Current in Poly(hexylthiophene) Derivatives

    Article • Journal of the American Chemical Society, March 2012, American Chemical Society (ACS)

    Professor Chad Risko

  44. Three-Dimensional Packing Structure and Electronic Properties of Biaxially Oriented Poly(2,5-bis(3-alkylthiophene-2-yl)thieno[3,2-b]thiophene) Films

    Article • Journal of the American Chemical Society, February 2012, American Chemical Society (ACS)

    Professor Chad Risko

  45. Synthesis and characterization of naphthalene diimide/diethynylbenzene copolymers

    Article • Polymer, February 2012, Elsevier

    Professor Bernard Kippelen, Professor Chad Risko

  46. Polymethine dyes for all-optical switching applications: a quantum-chemical characterization of counter-ion and aggregation effects on the third-order nonlinear optical response

    Article • Chemical Science, January 2012, Royal Society of Chemistry

    Professor Chad Risko

  47. Synthesis, experimental and theoretical characterization, and field-effect transistor properties of a new class of dibenzothiophene derivatives: From linear to cyclic architectures

    Article • Journal of Materials Chemistry, January 2012, Royal Society of Chemistry

    Professor Chad Risko

  48. Solution-Processed Organic Solar Cells with Power Conversion Efficiencies of 2.5% using Benzothiadiazole/Imide-Based Acceptors

    Article • Chemistry of Materials, November 2011, American Chemical Society (ACS)

    Professor Chad Risko

  49. Benzothiadiazole-Dithienopyrrole Donor–Acceptor–Donor and Acceptor–Donor–Acceptor Triads: Synthesis and Optical, Electrochemical, and Charge-Transport Properties

    Article • The Journal of Physical Chemistry C, October 2011, American Chemical Society (ACS)

    Professor Bernard Kippelen, Professor Chad Risko, Dr. Lauren Elizabeth Scholz

  50. ChemInform Abstract: A Quantum‐Chemical Perspective into Low Optical‐Gap Polymers for Highly‐Efficient Organic Solar Cells.

    Article • ChemInform, August 2011, Wiley

    Professor Chad Risko

  51. Fullerene–Carbene Lewis Acid–Base Adducts

    Article • Journal of the American Chemical Society, July 2011, American Chemical Society (ACS)

    Professor Chad Risko

  52. Solution-Processed Molecular Bis(Naphthalene Diimide) Derivatives with High Electron Mobility

    Article • Chemistry of Materials, July 2011, American Chemical Society (ACS)

    Professor Bernard Kippelen, Professor Chad Risko, Dr. Lauren Elizabeth Scholz

  53. A quantum-chemical perspective into low optical-gap polymers for highly-efficient organic solar cells

    Article • Chemical Science, March 2011, Royal Society of Chemistry

    Professor Chad Risko

  54. Mono- and Dicarbonyl-Bridged Tricyclic Heterocyclic Acceptors: Synthesis and Electronic Properties

    Article • The Journal of Organic Chemistry, March 2011, American Chemical Society (ACS)

    Yulia Getmanenko, Professor Chad Risko

  55. Tuning the Optoelectronic Properties of Vinylene-Linked Donor−Acceptor Copolymers for Organic Photovoltaics

    Article • Macromolecules, July 2010, American Chemical Society (ACS)

    Professor Chad Risko

  56. Transition from Tunneling to Hopping Transport in Long, Conjugated Oligo-imine Wires Connected to Metals

    Article • Journal of the American Chemical Society, March 2010, American Chemical Society (ACS)

    Professor Chad Risko

  57. Molecular modulation of Schottky barrier height in metal-molecule-silicon diodes: Capacitance and simulation results

    Article • Journal of Applied Physics, January 2010, American Institute of Physics

    Professor Chad Risko

  58. Design, Synthesis, and Characterization of Ladder-Type Molecules and Polymers. Air-Stable, Solution-Processable n-Channel and Ambipolar Semiconductors for Thin-Film Transistors via Experiment and Theory

    Article • Journal of the American Chemical Society, March 2009, American Chemical Society (ACS)

    Professor Chad Risko

  59. Experimental and Theoretical Identification of Valence Energy Levels and Interface Dipole Trends for a Family of (Oligo)Phenylene-ethynylenethiols Adsorbed on Gold

    Article • The Journal of Physical Chemistry C, August 2008, American Chemical Society (ACS)

    Professor Chad Risko

  60. Synthesis, Characterization, and Transistor Response of Semiconducting Silole Polymers with Substantial Hole Mobility and Air Stability. Experiment and Theory

    Article • Journal of the American Chemical Society, May 2008, American Chemical Society (ACS)

    Professor Chad Risko

  61. Trends in Electron-Vibration and Electronic Interactions in Bis(dimethylamino) Mixed-Valence Systems: A Joint Experimental and Theoretical Investigation

    Article • The Journal of Physical Chemistry C, April 2008, American Chemical Society (ACS)

    Professor Chad Risko

  62. Geometric and Chelation Influences on the Electronic Structure and Optical Properties of Tetra(carboxylic acid)phenyleneethynylene Dyes

    Article • The Journal of Physical Chemistry A, April 2008, American Chemical Society (ACS)

    Professor Chad Risko

  63. Fluorenyl-substituted silole molecules: geometric, electronic, optical, and device properties

    Article • Journal of Materials Chemistry, January 2008, Royal Society of Chemistry

    Xiaowei Zhan, Professor Bernard Kippelen, Professor Chad Risko

  64. Barrier height modulation and dipole moments in metal-molecule-silicon diodes

    Article • December 2007, Institute of Electrical & Electronics Engineers (IEEE)

    Professor Chad Risko

  65. Fabrication and characterization of metal-molecule-silicon devices

    Article • Applied Physics Letters, July 2007, American Institute of Physics

    Professor Chad Risko

  66. Synthesis, Ionisation Potentials and Electron Affinities of Hexaazatrinaphthylene Derivatives

    Article • Chemistry - A European Journal, April 2007, Wiley

    Professor Bernard Kippelen, Professor Chad Risko

  67. The impact of symmetric modes on intramolecular electron transfer: A semi-classical approach

    Article • Chemical Physics, July 2006, Elsevier

    Professor Chad Risko

  68. Isolation and Crystal Structures of Two Singlet Bis(Triarylamine) Dications with Nonquinoidal Geometries

    Article • Journal of the American Chemical Society, January 2006, American Chemical Society (ACS)

    Professor Chad Risko

  69. Comparative studies of the geometric and electronic properties of 1,1-disubstituted-2,3,4,5-tetraphenylsiloles and 1,1,2,2-tetramethyl-3,4,5,6-tetraphenyl-1,2-disila-3,5-cyclohexadiene

    Article • Journal of Materials Chemistry, January 2006, Royal Society of Chemistry

    Xiaowei Zhan, Professor Chad Risko

  70. High Charge-Carrier Mobility in an Amorphous Hexaazatrinaphthylene Derivative

    Article • Journal of the American Chemical Society, November 2005, American Chemical Society (ACS)

    Professor Bernard Kippelen, Professor Chad Risko

  71. Intervalence Transitions in the Mixed-Valence Monocations of Bis(triarylamines) Linked with Vinylene and Phenylene−Vinylene Bridges

    Article • Journal of the American Chemical Society, November 2005, American Chemical Society (ACS)

    Professor Chad Risko

  72. Electron Affinities of 1,1-Diaryl-2,3,4,5-tetraphenylsiloles:  Direct Measurements and Comparison with Experimental and Theoretical Estimates

    Article • Journal of the American Chemical Society, June 2005, American Chemical Society (ACS)

    Xiaowei Zhan, Professor Chad Risko

  73. Electronic Coupling in Tetraanisylarylenediamine Mixed-Valence Systems:  The Interplay between Bridge Energy and Geometric Factors

    Article • Journal of the American Chemical Society, May 2005, American Chemical Society (ACS)

    Professor Chad Risko

  74. A mixed-valence bis(diarylamino)stilbene: crystal structure and comparison of electronic coupling with biphenyl and tolane analogues

    Article • Chemical Communications, January 2005, Royal Society of Chemistry

    Professor Chad Risko

  75. An anionic organic mixed-valence system with a remarkably well-resolved vibrational structure in its intervalence band

    Article • Chemical Communications, December 2002, Royal Society of Chemistry

    Professor Chad Risko