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The CP2K Program Package Made Simple Iannuzzi, Marcella; Wilhelm, Jan; Stein, Frederick; Bussy, Augustin; Elgabarty, Hossam; Golze, Dorothea; Hehn, Anna-Sophia; Graml, Maximilian; Marek, Stepan; Goekmen, Beliz Sertcan; Schran, Christoph; Forbert, Harald; Khaliullin, Rustam Z.; Kozhevnikov, Anton; Taillefumier, Mathieu; Meli, Rocco; Rybkin, Vladimir V.; Brehm, Martin; Schade, Robert; Schutt, Ole; Pototschnig, Johann V.; Mirhosseini, Hossein; Knuepfer, Andreas; Marx, Dominik; Krack, Matthias; Hutter, Jurg; Kuehne, Thomas D. Share Save
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Solution-Processable Electronic-Grade 2D WTe2 Enabled by Synergistic Dual Ammonium Intercalation Yang, H; Synnatschke, K; Yoon, J; Mirhosseini, H; Hermes, IM; Li, XD; Neumann, C; Morag, A; Turchanin, A; Kühne, TD; Parkin, SSP; Yang, S; Nia, AS; Feng, XL Share Save
How to verify the precision of density-functional-theory implementations via reproducible and universal workflows Bosoni, Emanuele; Beal, Louis; Bercx, Marnik; Blaha, Peter; Bluegel, Stefan; Broeder, Jens; Callsen, Martin; Cottenier, Stefaan; Degomme, Augustin; Dikan, Vladimir; Eimre, Kristjan; Flage-Larsen, Espen; Fornari, Marco; Garcia, Alberto; Genovese, Luigi; Giantomassi, Matteo; Huber, Sebastiaan P.; Janssen, Henning; Kastlunger, Georg; Krack, Matthias; Kresse, Georg; Kuehne, Thomas D.; Lejaeghere, Kurt; Madsen, Georg K. H.; Marsman, Martijn; Marzari, Nicola; Michalicek, Gregor; Mirhosseini, Hossein; Mueller, Tiziano M. A.; Petretto, Guido; Pickard, Chris J.; Ponce, Samuel; Rignanese, Gian-Marco; Rubel, Oleg; Ruh, Thomas; Sluydts, Michael; Vanpoucke, Danny E. P.; Vijay, Sudarshan; Wolloch, Michael; Wortmann, Daniel; Yakutovich, Aliaksandr V.; Yu, Jusong; Zadoks, Austin; Zhu, Bonan; Pizzi, Giovanni Share Save
Charge Carrier Transport in Iron Pyrite Thin Films: Disorder-Induced Variable-Range Hopping Shukla, Sudhanshu; Mathew, Sinu; Choe, Hwan Sung; Chugh, Manjusha; Kuehne, Thomas D.; Mirhosseini, Hossein; Wu, Junqiao; Venkatesan, Thirumalai; Sritharan, Thirumany; Ager, Joel W. Share Save
Visualizing Chiral Interactions in Carbohydrates Adsorbed on Au(111) by High-Resolution STM Imaging Seibel, Johannes; Fittolani, Giulio; Mirhosseini, Hossein; Wu, Xu; Rauschenbach, Stephan; Anggara, Kelvin; Seeberger, Peter H.; Delbianco, Martina; Kuehne, Thomas D.; Schlickum, Uta; Kern, Klaus Share Save
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Real-Space Identification of Non-Noble Single Atomic Catalytic Sites within Metal-Coordinated Supramolecular Networks Lammers, Bertram Schulze; Lopez-Salas, Nieves; Siena, Julya Stein; Mirhosseini, Hossein; Yesilpinar, Damla; Heske, Julian; Ku, Thomas D.; Fuchs, Harald; Antonietti, Markus; Moenig, Harry; Moenig, Harry Share Save
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Surface Passivation and Detrimental Heat-Induced Diffusion Effects in RbF-Treated Cu(In,Ga)Se2 Solar Cell Absorbers Elizabeth, Amala; Sahoo, Sudhir K.; Phirke, Himanshu; Kodalle, Tim; Kuhne, Thomas D.; Audinot, Jean-Nicolas; Wirtz, Tom; Redinger, Alex; Kaufmann, Christian A.; Mirhosseini, Hossein; Moenig, Harry Share Save
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Interfacial Covalent Bonds Regulated Electron-Deficient 2D Black Phosphorus for Electrocatalytic Oxygen Reactions Wang, Xia; Raghupathy, Ramya Kormath Madam; Querebillo, Christine Joy; Liao, Zhongquan; Li, Dongqi; Lin, Kui; Hantusch, Martin; Sofer, Zdenek; Li, Baohua; Zschech, Ehrenfried; Weidinger, Inez M.; Kuehne, Thomas D.; Mirhosseini, Hossein; Yu, Minghao; Feng, Xinliang Share Save
Effects of KF and RbF treatments on Cu(In,Ga)Se2-based solar cells: A combined photoelectron spectroscopy and DFT study Majumdar, I.; Sahoo, S. K.; Parvan, V.; Mirhosseini, H.; Chacko, B.; Wang, Y.; Greiner, D.; Kuhne, T. D.; Schlatmann, R.; Lauermann, I. Share Save
A High-Rate Two-Dimensional Polyarylimide Covalent Organic Framework Anode for Aqueous Zn-Ion Energy Storage Devices Yu, Minghao; Chandrasekhar, Naisa; Raghupathy, Ramya Kormath Madam; Ly, Khoa Hoang; Zhang, Haozhe; Dmitrieva, Evgenia; Liang, Chaolun; Lu, Xihong; Kuehne, Thomas D.; Mirhosseini, Hossein; Weidinger, Inez M.; Feng, Xinliang Share Save
Correlating facet orientation, defect-level density and dipole layer formation at the surface of polycrystalline CuInSe2 thin films Elizabeth, Amala; Conradi, Hauke; Sahoo, Sudhir K.; Kodalle, Tim; Kaufmann, Christian A.; Kuehne, Thomas D.; Mirhosseini, Hossein; Abou-Ras, Daniel; Moenig, Harry Share Save
Oxidation/reduction cycles and their reversible effect on the dipole formation at CuInSe2 surfaces Elizabeth, Amala; Sahoo, Sudhir K.; Lockhorn, David; Timmer, Alexander; Aghdassi, Nabi; Zacharias, Helmut; Kuehne, Thomas D.; Siebentritt, Susanne; Mirhosseini, Hossein; Moenig, Harry Share Save
Revealing the origin of the beneficial effect of cesium in highly efficient Cu(In,Ga)Se2 solar cells Schoeppe, Philipp; Schoenherr, Sven; Chugh, Manjusha; Mirhosseini, Hossein; Jackson, Philip; Wuerz, Roland; Ritzer, Maurizio; Johannes, Andreas; Martinez-Criado, Gema; Wisniewski, Wolfgang; Schwarz, Torsten; Plass, Christian T.; Hafermann, Martin; Kuehne, Thomas D.; Schnohr, Claudia S.; Ronning, Carsten Share Save
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