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 H2 O and D2 O 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 C1 N1 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 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 C1 N1 (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 DresdenBestätigte E-Mail-Adresse bei cp2k.org