2024
- Engineering the electrostatic potential in a COF's pore by selecting quadrupolar building blocks and linkages. npj 2D Materials and Applications 8 (1), 2024 more…
- Photons, Excitons, and Electrons in Covalent Organic Frameworks. Journal of the American Chemical Society 146 (47), 2024, 32161-32205 more…
- Comparison of Matrix Product State and Multiconfiguration Time-Dependent Hartree Methods for Nonadiabatic Dynamics of Exciton Dissociation. Journal of Chemical Theory and Computation 20 (20), 2024, 8767-8781 more…
- Impact of heteroatoms and chemical functionalisation on crystal structure and carrier mobility of organic semiconductors. npj Computational Materials 10 (1), 2024 more…
- Direct visualization of the charge transfer state dynamics in dilute-donor organic photovoltaic blends. Nature Communications 15 (1), 2024 more…
- Hall transport in organic semiconductors. Physical Review B 110 (12), 2024 more…
- Sensitive Self‐Driven Single‐Component Organic Photodetector Based on Vapor‐Deposited Small Molecules. Advanced Materials 36 (50), 2024 more…
2023
- Evolution of Length-Dependent Properties of Discrete n-Type Oligomers Prepared via Scalable Direct Arylation. Journal of the American Chemical Society 145 (15), 2023, 8430-8444 more…
- Spin Dynamics of Flavoproteins. International Journal of Molecular Sciences 24 (9), 2023, 8218 more…
- Understanding the electronic pi-system of 2D covalent organic frameworks with Wannier functions. Scientific Reports 13 (1), 2023 more…
- Linear scaling approach for optical excitations using maximally localized Wannier functions. Journal of Physics: Materials 7 (1), 2023, 015001 more…
- Directed exciton transport highways in organic semiconductors. Nature Communications 14 (1), 2023 more…
- Insight on charge-transfer regimes in electron-phonon coupled molecular systems via numerically exact simulations. Communications Physics 6 (1), 2023 more…
- Band Structure Engineering in Highly Crystalline Organic Semiconductors. Chemistry of Materials 35 (18), 2023, 7867-7874 more…
2022
- Ultrafast carrier dynamics at organic donor–acceptor interfaces—a quantum-based assessment of the hopping model. Journal of Physics: Materials 5 (2), 2022, 024001 more…
- Charge carrier mobilities of organic semiconductors: ab initio simulations with mode-specific treatment of molecular vibrations. npj Computational Materials 8 (1), 2022 more…
- Charge transport in single polymer fiber transistors in the sub-100 nm regime: temperature dependence and Coulomb blockade. Journal of Physics: Materials 6 (1), 2022, 015001 more…
- Interplay of band occupation, localization, and polaron renormalization for electron transport in molecular crystals: Naphthalene as a case study. Physical Review B 105 (16), 2022 more…
- Thermal behavior and polymorphism of 2,9-didecyldinaphtho[2,3-<i>b</i>:2′,3′-<i>f</i>]thieno[3,2-<i>b</i>]thiophene thin films. Molecular Systems Design & Engineering 7 (5), 2022, 507-519 more…
- Highly efficient modulation doping: A path toward superior organic thermoelectric devices. Science Advances 8 (13), 2022 more…
2021
- Influence of synthetic pathway, molecular weight and side chains on properties of indacenodithiophene-benzothiadiazole copolymers made by direct arylation polycondensation. Journal of Materials Chemistry C 9 (13), 2021, 4597-4606 more…
- Persistent <i>peri</i> ‐Heptacene: Synthesis and In Situ Characterization. Angewandte Chemie International Edition 60 (25), 2021, 13853-13858 more…
- Time-consistent hopping transport with vibration-mode-resolved electron-phonon couplings. Physical Review B 104 (5), 2021 more…
- Band gap engineering in blended organic semiconductor films based on dielectric interactions. Nature Materials 20 (10), 2021, 1407-1413 more…
- Efficient Time-Domain Approach for Linear Response Functions. Physical Review Letters 127 (1), 2021 more…
- Investigating a Combined Stochastic Nucleation and Molecular Dynamics-Based Equilibration Approach for Constructing Large-Scale Polycrystalline Films. Journal of Chemical Theory and Computation 17 (2), 2021, 1266-1275 more…
- Electronic Doping and Enhancement of n‐Channel Polycrystalline OFET Performance through Gate Oxide Modifications with Aminosilanes. Advanced Materials Interfaces 8 (16), 2021, 2100320 more…
- Short Excited‐State Lifetimes Mediate Charge‐Recombination Losses in Organic Solar Cell Blends with Low Charge‐Transfer Driving Force. Advanced Materials 34 (22), 2021, 2101784 more…