| Sustainable Oxidation Catalysis Supported by Light: Fe-Poly (heptazine imide) as a Heterogeneous Single-Atom Photocatalyst MAR da Silva, IF Silva, Q Xue, BTW Lo, NV Tarakina, BN Nunes, P Adler, ... Applied Catalysis B: Environmental, 120965, 2021 | 40 | 2021 |
| 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 | 36 | 2020 |
| 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 | 31 | 2019 |
| 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, 2021 | 27 | 2021 |
| Interfacing the Core-Shell or the Drude Polarizable Force Field With Car–Parrinello Molecular Dynamics for QM/MM Simulations SK Sahoo, NN Nair Frontiers in chemistry 6, 275, 2018 | 19 | 2018 |
| Phosphomolybdic acid dispersed in the micropores of sulfate treated Zr-pillared clay as efficient heterogeneous catalyst for the synthesis of β-aminocarbonyl compounds in … S Samantaray, SK Sahoo, BG Mishra Journal of Porous Materials 18 (5), 573-580, 2011 | 13 | 2011 |
| A potential with low point charges for pure siliceous zeolites SK Sahoo, NN Nair Journal of computational chemistry 36 (20), 1562-1567, 2015 | 11 | 2015 |
| Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films A Elizabeth, H Conradi, SK Sahoo, T Kodalle, CA Kaufmann, TD Kühne, ... Acta Materialia 200, 463-470, 2020 | 10 | 2020 |
| Theoretical Investigation of the Interaction of the CuInSe2 Absorber Material with Oxygen, Hydrogen, and Water SK Sahoo, R Kormath Madam Raghupathy, TD Kühne, H Mirhosseini The Journal of Physical Chemistry C 122 (37), 21202-21209, 2018 | 9 | 2018 |
| Effects of KF and RbF treatments on Cu (In, Ga) Se2-based solar cells: A combined photoelectron spectroscopy and DFT study I Majumdar, SK Sahoo, V Parvan, H Mirhosseini, B Chacko, Y Wang, ... Applied Surface Science 538, 148085, 2021 | 8 | 2021 |
| When Water becomes an Integral Part of Carbon-Combining Theory and Experiment to Understand the Zeolite-like Water Adsorption Properties of porous C2N Materials J Heske, R Walczak, JD Epping, S Youk, SK Sahoo, M Antonietti, T Kühne, ... Journal of Materials Chemistry A, 2021 | 8 | 2021 |
| 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, 5832, 2020 | 8 | 2020 |
| CPMD/GULP QM/MM interface for modeling periodic solids: Implementation and its application in the study of Y‐zeolite supported Rhn clusters SK Sahoo, NN Nair Journal of computational chemistry 37 (18), 1657-1667, 2016 | 7 | 2016 |
| Oxidation/reduction cycles and their reversible effect on the dipole formation at CuInSe 2 surfaces A Elizabeth, SK Sahoo, D Lockhorn, A Timmer, N Aghdassi, H Zacharias, ... Physical Review Materials 4 (6), 063401, 2020 | 4 | 2020 |
| Surface Passivation and Detrimental Heat-Induced Diffusion Effects in RbF-Treated Cu(In,Ga)Se2 Solar Cell Absorbers A Elizabeth, SK Sahoo, H Phirke, T Kodalle, TD Kühne, JN Audinot, ... ACS Applied Materials & Interfaces, 2022 | 3 | 2022 |
| In silico investigation of Cu(In,Ga)Se2-based solar cells TDK Hossein Mirhosseini, Ramya Kormath Madam Raghupathy, Sudhir K. Sahoo ... Physical Chemistry Chemical Physics, 2020 | 3 | 2020 |
Thomas D. KühneFounding Director of the Center for Advanced Systems Understanding (CASUS)Verified email at cp2k.org
