| GPAW: An open Python package for electronic structure calculations JJ Mortensen, AH Larsen, M Kuisma, AV Ivanov, A Taghizadeh, ... The Journal of Chemical Physics 160 (9), 2024 | 86 | 2024 |
| Electrochemical N2 Reduction to Ammonia Using Single Au/Fe Atoms Supported on Nitrogen-Doped Porous Carbon SK Sahoo, J Heske, M Antonietti, Q Qin, M Oschatz, TD Kühne ACS Applied Energy Materials 3 (10), 10061-10069, 2020 | 59 | 2020 |
| Photocatalytic water splitting reaction catalyzed by ion-exchanged salts of potassium poly (heptazine imide) 2D materials SK Sahoo, IF Teixeira, A Naik, J Heske, D Cruz, M Antonietti, A Savateev, ... The Journal of Physical Chemistry C 125 (25), 13749-13758, 2021 | 47 | 2021 |
| Opposing Electronic and Nuclear Quantum Effects on Hydrogen Bonds in H2O and D2O T Clark, J Heske, TD Kühne ChemPhysChem 20 (19), 2461-2465, 2019 | 40 | 2019 |
| Controlling the strength of interaction between carbon dioxide and nitrogen-rich carbon materials by molecular design R Walczak, A Savateev, J Heske, NV Tarakina, S Sahoo, JD Epping, ... Sustainable Energy & Fuels 3 (10), 2819-2827, 2019 | 38 | 2019 |
| Ni-based electrocatalysts for unconventional CO2 reduction reaction to formic acid E Lepre, J Heske, M Nowakowski, E Scoppola, I Zizak, T Heil, TD Kühne, ... Nano Energy 97, 107191, 2022 | 28 | 2022 |
| Guanine condensates as covalent materials and the concept of cryptopores J Kossmann, D Piankova, NV Tarakina, J Heske, TD Kühne, J Schmidt, ... Carbon 172, 497-505, 2021 | 17 | 2021 |
| When water becomes an integral part of carbon–combining theory and experiment to understand the zeolite-like water adsorption properties of porous C 2 N materials J Heske, R Walczak, JD Epping, S Youk, SK Sahoo, M Antonietti, ... Journal of Materials Chemistry A 9 (39), 22563-22572, 2021 | 15 | 2021 |
| “Red carbon”: A rediscovered covalent crystalline semiconductor M Odziomek, P Giusto, J Kossmann, NV Tarakina, J Heske, ... Advanced Materials 34 (40), 2206405, 2022 | 14 | 2022 |
| Real-Space Identification of Non-Noble Single Atomic Catalytic Sites within Metal-Coordinated Supramolecular Networks B Schulze Lammers, N López-Salas, J Stein Siena, H Mirhosseini, ... ACS nano 16 (9), 14284-14296, 2022 | 13 | 2022 |
| On the possibility of helium adsorption in nitrogen doped graphitic materials SK Sahoo, J Heske, S Azadi, Z Zhang, NV Tarakina, M Oschatz, ... Scientific Reports 10 (1), 5832, 2020 | 10 | 2020 |
| Disordered crystals from first principles II: Transport coefficients TD Kühne, J Heske, E Prodan Annals of Physics 421, 168290, 2020 | 9 | 2020 |
| Molybdenum disulfide nanoribbons with enhanced edge nonlinear response and photoresponsivity G Ghimire, RK Ulaganathan, A Tempez, O Ilchenko, RR Unocic, J Heske, ... Advanced Materials 35 (31), 2302469, 2023 | 6 | 2023 |
| C1N1 Thin Films from Guanine Decomposition Fragments M Jerigová, J Heske, TD Kühne, Z Tian, M Tovar, M Odziomek, ... Advanced Materials Interfaces 10 (6), 2202061, 2023 | 3 | 2023 |
| Water in PHI Nanopores: Modeling Adsorption, Solvent Structure, and Thermodynamics J Heske, TD Kühne, M Antonietti ACS omega 8 (29), 26526-26532, 2023 | 1 | 2023 |
| A High-Performance Quasi-1D MoS Nanoribbon Photodetector G Ghimire, RK Ulaganathan, A Tempez, O Ilchenko, RR Unocic, J Heske, ... arXiv preprint arXiv:2304.00455, 2023 | 1 | 2023 |
| Assignment of the Crystal Structure to the Aza-Pinacol Coupling Product by X-ray Diffraction and Density Functional Theory Modeling O Savateev, NV Tarakina, AP Tyutyunnik, SM Rivadeneira, J Heske, ... ACS omega 7 (45), 41581-41585, 2022 | 1 | 2022 |
| Understanding the Wettability of C1N1 (Sub)Nanopores: Implications for Porous Carbonaceous Electrodes I Lamata‐Bermejo, W Keil, K Nolkemper, J Heske, J Kossmann, ... Angewandte Chemie 136 (50), e202411493, 2024 | | 2024 |
| GPAW: open Python package for electronic-structure calculations J Jørgen Mortensen, A Hjorth Larsen, M Kuisma, AV Ivanov, ... arXiv e-prints, arXiv: 2310.14776, 2023 | | 2023 |
| Corrigendum to'Guanine condensates as covalent materials and the concept of cryptopores'[Carbon 172 (2021) 497-505] J Kossmann, D Piankova, NV Tarakina, J Heske, TD Kühne, J Schmidt, ... Carbon 182, 862-862, 2021 | | 2021 |
Thomas D. KühneFounding Director of the Center for Advanced Systems Understanding (CASUS), HZDR & TU DresdenVerified email at cp2k.org