Multi‐Electron Reactions Enabled by Anion‐Based Redox Chemistry for High‐Energy Multivalent Rechargeable Batteries
Li, Zhenyou, Vinayan, Bhaghavathi P., Jankowski, Piotr, Njel, Christian, Roy, Ananyo, Vegge, Tejs, Maibach, Julia, Lastra, Juan Maria García, Fichtner, Maximilian, Zhao‐Karger, Zhirong
Published in Angewandte Chemie International Edition (06.07.2020)
Published in Angewandte Chemie International Edition (06.07.2020)
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Machine learning-based screening of complex molecules for polymer solar cells
Jørgensen, Peter Bjørn, Mesta, Murat, Shil, Suranjan, García Lastra, Juan Maria, Jacobsen, Karsten Wedel, Thygesen, Kristian Sommer, Schmidt, Mikkel N
Published in The Journal of chemical physics (28.06.2018)
Published in The Journal of chemical physics (28.06.2018)
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Implementation of Constrained DFT for Computing Charge Transfer Rates within the Projector Augmented Wave Method
Melander, Marko, Jónsson, Elvar Ö, Mortensen, Jens J, Vegge, Tejs, García Lastra, Juan Maria
Published in Journal of chemical theory and computation (08.11.2016)
Published in Journal of chemical theory and computation (08.11.2016)
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Dual Role of Mo6S8 in Polysulfide Conversion and Shuttle for Mg–S Batteries
Wang, Liping, Jankowski, Piotr, Njel, Christian, Bauer, Werner, Li, Zhenyou, Meng, Zhen, Dasari, Bosubabu, Vegge, Tejs, Lastra, Juan Maria García, Zhao‐Karger, Zhirong, Fichtner, Maximilian
Published in Advanced science (01.03.2022)
Published in Advanced science (01.03.2022)
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Tuning the resistive switching in tantalum oxide-based memristors by annealing
Li, Yang, Suyolcu, Y. Eren, Sanna, Simone, Christensen, Dennis Valbjørn, Traulsen, Marie Lund, Stamate, Eugen, Pedersen, Christian Søndergaard, van Aken, Peter A., García Lastra, Juan Maria, Esposito, Vincenzo, Pryds, Nini
Published in AIP advances (01.06.2020)
Published in AIP advances (01.06.2020)
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A practical perspective on the potential of rechargeable Mg batteries
Blázquez, J. Alberto, Maça, Rudi R, Leonet, Olatz, Azaceta, Eneko, Mukherjee, Ayan, Zhao-Karger, Zhirong, Li, Zhenyou, Kovalevsky, Aleksey, Fernández-Barquín, Ana, Mainar, Aroa R, Jankowski, Piotr, Rademacher, Laurin, Dey, Sunita, Dutton, Siân E, Grey, Clare P, Drews, Janina, Häcker, Joachim, Danner, Timo, Latz, Arnulf, Sotta, Dane, Palacin, M. Rosa, Martin, Jean-Frédéric, Lastra, Juan Maria García, Fichtner, Maximilian, Kundu, Sumana, Kraytsberg, Alexander, Ein-Eli, Yair, Noked, Malachi, Aurbach, Doron
Published in Energy & environmental science (17.05.2023)
Published in Energy & environmental science (17.05.2023)
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Tuning the stoichiometry and electrical properties of tantalum oxide thin films
Li, Yang, Sanna, Simone, Norrman, Kion, Christensen, Dennis Valbjørn, Pedersen, Christian Søndergaard, Lastra, Juan Maria García, Traulsen, Marie Lund, Esposito, Vincenzo, Pryds, Nini
Published in Applied surface science (15.03.2019)
Published in Applied surface science (15.03.2019)
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Correction to Implementation of Constrained DFT for Computing Charge Transfer Rates within the Projector Augmented Wave Method
Melander, Marko, Jónsson, Elvar Ö, Mortensen, Jens J, Vegge, Tejs, García Lastra, Juan Maria
Published in Journal of chemical theory and computation (13.02.2018)
Published in Journal of chemical theory and computation (13.02.2018)
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Effect of Sb Segregation on Conductance and Catalytic Activity at Pt/Sb-Doped SnO2 Interface: A Synergetic Computational and Experimental Study
Fu, Qiang, Colmenares Rausseo, Luis César, Martinez, Umberto, Dahl, Paul Inge, García Lastra, Juan Maria, Vullum, Per Erik, Svenum, Ingeborg-Helene, Vegge, Tejs
Published in ACS applied materials & interfaces (23.12.2015)
Published in ACS applied materials & interfaces (23.12.2015)
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Red Shift in Optical Excitations on Layered Copper Perovskites under Pressure: Role of the Orthorhombic Instability
Carrasco‐Busturia, David, Sánchez‐Movellán, Inés, Tygesen, Alexander Sougaard, Bhowmik, Arghya, García‐Lastra, Juan María, Aramburu, José Antonio, Moreno, Miguel
Published in Chemistry : a European journal (24.01.2023)
Published in Chemistry : a European journal (24.01.2023)
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Ab initio Molecular Dynamics Investigations of the Speciation and Reactivity of Deep Eutectic Electrolytes in Aluminum Batteries
Carrasco‐Busturia, David, Lysgaard, Steen, Jankowski, Piotr, Vegge, Tejs, Bhowmik, Arghya, García‐Lastra, Juan María
Published in ChemSusChem (06.05.2021)
Published in ChemSusChem (06.05.2021)
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Combined DFT and Differential Electrochemical Mass Spectrometry Investigation of the Effect of Dopants in Secondary Zinc–Air Batteries
Lysgaard, Steen, Christensen, Mathias K., Hansen, Heine A., García Lastra, Juan Maria, Norby, Poul, Vegge, Tejs
Published in ChemSusChem (22.06.2018)
Published in ChemSusChem (22.06.2018)
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Understanding the Molecular Structure of the Elastic and Thermoreversible AlCl3 : Urea/Polyethylene Oxide Gel Electrolyte
Miguel, Álvaro, Fornari, Rocco Peter, García, Nuria, Bhowmik, Arghya, Carrasco‐Busturia, David, García‐Lastra, Juan Maria, Tiemblo, Pilar
Published in ChemSusChem (21.10.2020)
Published in ChemSusChem (21.10.2020)
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Journal Article
Ab initio Molecular Dynamics Investigations of the Speciation and Reactivity of Deep Eutectic Electrolytes in Aluminum Batteries
Carrasco‐Busturia, David, Lysgaard, Steen, Jankowski, Piotr, Vegge, Tejs, Bhowmik, Arghya, García‐Lastra, Juan María
Published in ChemSusChem (06.05.2021)
Published in ChemSusChem (06.05.2021)
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Element-specific investigations of ultrafast dynamics in photoexcited Cu2ZnSnS4 nanoparticles in solution
Rein, Christian, Uhlig, Jens, Carrasco-Busturia, David, Khalili, Khadijeh, Gertsen, Anders S., Moltke, Asbjørn, Zhang, Xiaoyi, Katayama, Tetsuo, Lastra, Juan Maria García, Nielsen, Martin Meedom, Adachi, Shin-Ichi, Haldrup, Kristoffer, Andreasen, Jens Wenzel
Published in Structural dynamics (Melville, N.Y.) (01.03.2021)
Published in Structural dynamics (Melville, N.Y.) (01.03.2021)
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