Building Blocks for High‐Efficiency Organic Photovoltaics: Interplay of Molecular, Crystal, and Electronic Properties in Post‐Fullerene ITIC Ensembles

Solvent additive-free ternary polymer solar cells with 16.27% efficiency

(2019) Qiaoshi An et al.   Science Bulletin

Fluorination Effects on Indacenodithienothiophene Acceptor Packing and Electronic Structure, End-Group Redistribution, and Solar Cell Photovoltaic Response

(2019) Thomas J. Aldrich et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Non-Kasha Behavior in Quadrupolar Dye Aggregates: The Red-Shifted H-Aggregate

(2019) Chenyu Zheng et al.   Journal of Physical Chemistry C

An Electron Acceptor with Broad Visible-NIR Absorption and Unique Solid State Packing for As-Cast High Performance Binary Organic Solar Cells

(2018) Xueliang Shi et al.   ADVANCED FUNCTIONAL MATERIALS

Over 14% Efficiency in Organic Solar Cells Enabled by Chlorinated Nonfullerene Small-Molecule Acceptors

(2018) Hao Zhang et al.   ADVANCED MATERIALS

Critical review of the molecular design progress in non-fullerene electron acceptors towards commercially viable organic solar cells

(2018) Andrew Wadsworth et al.   CHEMICAL SOCIETY REVIEWS

Enhancing Polymer Photovoltaic Performance via Optimized Intramolecular Ester-Based Noncovalent Sulfur···Oxygen Interactions

(2018) Jianhua Chen et al.   MACROMOLECULES

Organic solar cells based on non-fullerene acceptors

(2018) Jianhui Hou et al.   NATURE MATERIALS

Next-generation organic photovoltaics based on non-fullerene acceptors

(2018) Pei Cheng et al.   Nature Photonics

In Situ Analysis of Solvent and Additive Effects on Film Morphology Evolution in Spin-Cast Small-Molecule and Polymer Photovoltaic Materials

(2018) Eric F. Manley et al.   Advanced Energy Materials

Near-infrared absorbing non-fullerene acceptors with selenophene as π bridges for efficient organic solar cells

(2018) Ziqi Liang et al.   Journal of Materials Chemistry A

Tuning the structural and spectroscopic properties of donor–acceptor–donor oligomers via mutual X-bonding, H-bonding, and π–π interactions

(2018) Asmerom O. Weldeab et al.   Journal of Materials Chemistry C

Closely packed, low reorganization energy π-extended postfullerene acceptors for efficient polymer solar cells

(2018) Steven M. Swick et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Fused-Ring Nonfullerene Acceptor Forming Interpenetrating J -Architecture for Fullerene-Free Polymer Solar Cells

(2018) Dong Yan et al.   Advanced Energy Materials

Modelling the morphology and thermomechanical behaviour of low-bandgap conjugated polymers and bulk heterojunction films

(2017) Samuel E. Root et al.   Energy & Environmental Science

Trends in the electronic and geometric structure of non-fullerene based acceptors for organic solar cells

(2017) Alina Kuzmich et al.   Energy & Environmental Science

Quantitative Analysis of the Molecular Dynamics of P3HT:PCBM Bulk Heterojunction

(2017) Anne A. Y. Guilbert et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Improved Scaling of Molecular Network Calculations: The Emergence of Molecular Domains

(2017) Adam G. Gagorik et al.   Journal of Physical Chemistry Letters

Ring-Fusion of Perylene Diimide Acceptor Enabling Efficient Nonfullerene Organic Solar Cells with a Small Voltage Loss

(2017) Jianquan Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Bulk Heterojunction Morphologies with Atomistic Resolution from Coarse-Grain Solvent Evaporation Simulations

(2017) Riccardo Alessandri et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Efficient Organic Solar Cells with Non-Fullerene Acceptors

(2017) Shuixing Li et al.   Small

Molecular dynamics and charge transport in organic semiconductors: a classical approach to modeling electron transfer

(2017) Kenley M. Pelzer et al.   Chemical Science

Achieving over 10% efficiency in a new acceptor ITTC and its blends with hexafluoroquinoxaline based polymers

(2017) Zhenzhen Zhang et al.   Journal of Materials Chemistry A

Subtle side-chain tuning on terminal groups of small molecule electron acceptors for efficient fullerene-free polymer solar cells

(2017) Jie Zhu et al.   Journal of Materials Chemistry A

Recent progress in non-fullerene small molecule acceptors in organic solar cells (OSCs)

(2017) Wangqiao Chen et al.   Journal of Materials Chemistry C

Terminal π–π stacking determines three-dimensional molecular packing and isotropic charge transport in an A–π–A electron acceptor for non-fullerene organic solar cells

(2017) Guangchao Han et al.   Journal of Materials Chemistry C

Impact of Fullerene Mixing Behavior on the Microstructure, Photophysics, and Device Performance of Polymer/Fullerene Solar Cells

(2016) Wenchao Huang et al.   ACS Applied Materials & Interfaces

Petascale Simulations of the Morphology and the Molecular Interface of Bulk Heterojunctions

(2016) Jan-Michael Y. Carrillo et al.   ACS Nano

Energy-Level Modulation of Small-Molecule Electron Acceptors to Achieve over 12% Efficiency in Polymer Solar Cells

(2016) Sunsun Li et al.   ADVANCED MATERIALS

Effects of Crystalline Perylenediimide Acceptor Morphology on Optoelectronic Properties and Device Performance

(2016) Patrick E. Hartnett et al.   CHEMISTRY OF MATERIALS

Synthesis, Self-Assembly, and Solar Cell Performance of N-Annulated Perylene Diimide Non-Fullerene Acceptors

(2016) Arthur D. Hendsbee et al.   CHEMISTRY OF MATERIALS

Materials Design via Optimized Intramolecular Noncovalent Interactions for High-Performance Organic Semiconductors

(2016) Xiaojie Guo et al.   CHEMISTRY OF MATERIALS

Three-Bladed Rylene Propellers with Three-Dimensional Network Assembly for Organic Electronics

(2016) Dong Meng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Side-Chain Isomerization on an n-type Organic Semiconductor ITIC Acceptor Makes 11.77% High Efficiency Polymer Solar Cells

(2016) Yankang Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

High-Performance Electron Acceptor with Thienyl Side Chains for Organic Photovoltaics

(2016) Yuze Lin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Facile Planar Fused-Ring Electron Acceptor for As-Cast Polymer Solar Cells with 8.71% Efficiency

(2016) Yuze Lin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Predicting the Mechanical Properties of Organic Semiconductors Using Coarse-Grained Molecular Dynamics Simulations

(2016) Samuel E. Root et al.   MACROMOLECULES

Charge transport network dynamics in molecular aggregates

(2016) Nicholas E. Jackson et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Non-fullerene small molecule acceptors based on perylene diimides

(2016) Zhitian Liu et al.   Journal of Materials Chemistry A

An Electron Acceptor Challenging Fullerenes for Efficient Polymer Solar Cells

(2015) Yuze Lin et al.   ADVANCED MATERIALS

Theoretical Description of Structural and Electronic Properties of Organic Photovoltaic Materials

(2015) Andriy Zhugayevych et al.   Annual Review of Physical Chemistry

Recent Advances in Bulk Heterojunction Polymer Solar Cells

(2015) Luyao Lu et al.   CHEMICAL REVIEWS

The future of organic photovoltaics

(2015) Katherine A. Mazzio et al.   CHEMICAL SOCIETY REVIEWS

Conformational Order in Aggregates of Conjugated Polymers

(2015) Nicholas E. Jackson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Key components to the recent performance increases of solution processed non-fullerene small molecule acceptors

(2015) Seth M. McAfee et al.   Journal of Materials Chemistry A

Bulk Heterojunction Solar Cells: Morphology and Performance Relationships

(2014) Ye Huang et al.   CHEMICAL REVIEWS

Correction to “Inapplicability of Electron-Hopping Models for the Organic Semiconductor Phenyl-C61-butyric Acid Methyl Ester (PCBM)”

(2014) Fruzsina Gajdos et al.   Journal of Physical Chemistry Letters

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

(2014) Monika Williams et al.   Journal of Physical Chemistry Letters

Slip-Stacked Perylenediimides as an Alternative Strategy for High Efficiency Nonfullerene Acceptors in Organic Photovoltaics

(2014) Patrick E. Hartnett et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Unequal Partnership: Asymmetric Roles of Polymeric Donor and Fullerene Acceptor in Generating Free Charge

(2014) Brett M. Savoie et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Helical Ribbons for Molecular Electronics

(2014) Yu Zhong et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mesoscale molecular network formation in amorphous organic materials

(2014) B. M. Savoie et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Evolution of the Electron Mobility in Polymer Solar Cells with Different Fullerene Acceptors

(2013) Dong Gao et al.   ACS Applied Materials & Interfaces

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

(2013) Naga Rajesh Tummala et al.   ADVANCED FUNCTIONAL MATERIALS

Interpreting the Density of States Extracted from Organic Solar Cells Using Transient Photocurrent Measurements

(2013) Roderick C. I. MacKenzie et al.   Journal of Physical Chemistry C

On the Inapplicability of Electron-Hopping Models for the Organic Semiconductor Phenyl-C61-butyric Acid Methyl Ester (PCBM)

(2013) Fruzsina Gajdos et al.   Journal of Physical Chemistry Letters

Singlet Exciton Fission in Polycrystalline Thin Films of a Slip-Stacked Perylenediimide

(2013) Samuel W. Eaton et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Computationally Linking Molecular Features of Conjugated Polymers and Fullerene Derivatives to Bulk Heterojunction Morphology

(2013) Eric Jankowski et al.   MACROMOLECULES

Structural Factors That Affect the Performance of Organic Bulk Heterojunction Solar Cells

(2013) Koen Vandewal et al.   MACROMOLECULES

Measurement of molecular motion in organic semiconductors by thermal diffuse electron scattering

(2013) Alexander S. Eggeman et al.   NATURE MATERIALS

Ultrafast Long-Range Charge Separation in Organic Semiconductor Photovoltaic Diodes

(2013) S. Gelinas et al.   SCIENCE

The case for organic photovoltaics

(2013) Seth B. Darling et al.   RSC Advances

Toward Quantitative Prediction of Charge Mobility in Organic Semiconductors: Tunneling Enabled Hopping Model

(2012) Hua Geng et al.   ADVANCED MATERIALS

Interrelation between Crystal Packing and Small-Molecule Organic Solar Cell Performance

(2012) Roland Fitzner et al.   ADVANCED MATERIALS

What Makes Fullerene Acceptors Special as Electron Acceptors in Organic Solar Cells and How to Replace Them

(2012) Tao Liu et al.   ADVANCED MATERIALS

Polymer-Fullerene Miscibility: A Metric for Screening New Materials for High-Performance Organic Solar Cells

(2012) Neil D. Treat et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The ORCA program system

(2011) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

Theoretical Study of the Organic Photovoltaic Electron Acceptor PCBM: Morphology, Electronic Structure, and Charge Localization

(2010) David L. Cheung et al.   Journal of Physical Chemistry C

Tuning the Charge-Transport Parameters of Perylene Diimide Single Crystals via End and/or Core Functionalization: A Density Functional Theory Investigation

(2010) M. Carmen Ruiz Delgado et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Geometry and Electronic Coupling in Perylenediimide Stacks: Mapping Structure−Charge Transport Relationships

(2010) Josh Vura-Weis et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Multiscale study of charge mobility of organic semiconductor with dynamic disorders

(2010) Linjun Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Modeling Charge Transport in Organic Photovoltaic Materials

(2009) Jenny Nelson et al.   ACCOUNTS OF CHEMICAL RESEARCH

A Quantitative Study of PCBM Diffusion during Annealing of P3HT:PCBM Blend Films

(2009) Benjamin Watts et al.   MACROMOLECULES

Morphology evolution via self-organization and lateral and vertical diffusion in polymer:fullerene solar cell blends

(2008) Mariano Campoy-Quiles et al.   NATURE MATERIALS

The electronic band structure of fullerene-cubane cocrystals

(2008) V. Zólyomi et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS