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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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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Journal Article
Pressure Effects on 3d n (n=4, 9) Insulating Compounds: Long Axis Switch in Na 3 MnF 6 not Due to the Jahn-Teller Effect
Sánchez-Movellán, Inés, Carrasco-Busturia, David, García-Lastra, Juan M, García-Fernández, Pablo, Aramburu, José A, Moreno, Miguel
Published in Chemistry : a European journal (01.08.2022)
Published in Chemistry : a European journal (01.08.2022)
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Journal Article
Pressure Effects on 3dn (n=4, 9) Insulating Compounds: Long Axis Switch in Na3MnF6 not Due to the Jahn‐Teller Effect
Sánchez‐Movellán, Inés, Carrasco‐Busturia, David, García‐Lastra, Juan M., García‐Fernández, Pablo, Aramburu, José A., Moreno, Miguel
Published in Chemistry : a European journal (01.08.2022)
Published in Chemistry : a European journal (01.08.2022)
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Journal Article
Understanding the Molecular Structure of the Elastic and Thermoreversible AlCl 3 : 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
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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Electron-vibrational renormalization in fullerenes through ab initio and machine learning methods
García-Risueño, Pablo, Armengol, Eva, García-Cerdaña, Àngel, García-Lastra, Juan María, Carrasco-Busturia, David
Published in Physical chemistry chemical physics : PCCP (31.07.2024)
Published in Physical chemistry chemical physics : PCCP (31.07.2024)
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Front Cover: Ab initio Molecular Dynamics Investigations of the Speciation and Reactivity of Deep Eutectic Electrolytes in Aluminum Batteries (ChemSusChem 9/2021)
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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Journal Article
Influence of Ionic Coordination on the Cathode Reaction Mechanisms of Al/S Batteries
Bhowmik, Arghya, Carrasco-Busturia, David, Jankowski, Piotr, Raccichini, Rinaldo, Garcia-Araez, Nuria, García-Lastra, Juan María
Published in Journal of physical chemistry. C (13.01.2022)
Published in Journal of physical chemistry. C (13.01.2022)
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MiMiC: A high-performance framework for multiscale molecular dynamics simulations
Antalík, Andrej, Levy, Andrea, Kvedaravičiūtė, Sonata, Johnson, Sophia K, Carrasco-Busturia, David, Raghavan, Bharath, Mouvet, François, Acocella, Angela, Das, Sambit, Gavini, Vikram, Mandelli, Davide, Ippoliti, Emiliano, Meloni, Simone, Carloni, Paolo, Rothlisberger, Ursula, Olsen, Jógvan Magnus Haugaard
Published in The Journal of chemical physics (14.07.2024)
Published in The Journal of chemical physics (14.07.2024)
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Polymers for aluminium secondary batteries: Solubility, ionogel formation and chloroaluminate speciation
Miguel, Álvaro, Jankowski, Piotr, Pablos, Jesús L., Corrales, Teresa, López-Cudero, Ana, Bhowmik, Arghya, Carrasco-Busturia, David, Ellis, Gary, García, Nuria, García-Lastra, J.M., Tiemblo, Pilar
Published in Polymer (Guilford) (14.05.2021)
Published in Polymer (Guilford) (14.05.2021)
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Journal Article
Pressure Effects on 3dn (n=4, 9) Insulating Compounds: Long Axis Switch in Na3 MnF6 not Due to the Jahn-Teller Effect
Sánchez-Movellán, Inés, Carrasco-Busturia, David, García-Lastra, Juan M, García-Fernández, Pablo, Aramburu, José A, Moreno, Miguel
Published in Chemistry : a European journal (01.08.2022)
Published in Chemistry : a European journal (01.08.2022)
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Journal Article
Outstanding Reviewers for Digital Discovery in 2022
Published in Digital discovery
(08.08.2023)
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Journal Article
Element-specific investigations of ultrafast dynamics in photoexcited Cu 2 ZnSnS 4 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)
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Published in Structural dynamics (Melville, N.Y.) (01.03.2021)
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