On the role of water in the hydrogen bond network in DESs: an ab initio molecular dynamics and quantum mechanical study on the urea-betaine system
Contreras, Renato, Lodeiro, Lucas, Rozas-Castro, Nicolás, Ormazábal-Toledo, Rodrigo
Published in Physical chemistry chemical physics : PCCP (28.01.2021)
Published in Physical chemistry chemical physics : PCCP (28.01.2021)
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Journal Article
Functionalization of Gold Nanostars with Cationic β-Cyclodextrin-Based Polymer for Drug Co-Loading and SERS Monitoring
Donoso-González, Orlando, Lodeiro, Lucas, Aliaga, Álvaro E, Laguna-Bercero, Miguel A, Bollo, Soledad, Kogan, Marcelo J, Yutronic, Nicolás, Sierpe, Rodrigo
Published in Pharmaceutics (15.02.2021)
Published in Pharmaceutics (15.02.2021)
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Journal Article
Methodological Issues in First-Principle Calculations of CH3NH3PbI3 Perovskite Surfaces: Quantum Confinement and Thermal Motion
Lodeiro, Lucas, Barría-Cáceres, Felipe, Jiménez, Karla, Contreras, Renato, Montero-Alejo, Ana L, Menéndez-Proupin, Eduardo
Published in ACS omega (17.11.2020)
Published in ACS omega (17.11.2020)
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Journal Article
Hydrogen bonds in lead halide perovskites: insights from ab initio molecular dynamics
Garrote-Márquez, Alejandro, Lucas Lodeiro, Suresh, Rahul, Norge Cruz Hernández, Grau-Crespo, Ricardo, Menéndez-Proupin, Eduardo
Published in arXiv.org (29.03.2023)
Published in arXiv.org (29.03.2023)
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Journal Article
On the role of water in the hydrogen bond network in DESs: an molecular dynamics and quantum mechanical study on the urea-betaine system
Contreras, Renato, Lodeiro, Lucas, Rozas-Castro, Nicolás, Ormazábal-Toledo, Rodrigo
Published in Physical chemistry chemical physics : PCCP (28.01.2021)
Published in Physical chemistry chemical physics : PCCP (28.01.2021)
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Journal Article
Selective reduction of nitroarenes using Ru/C and CaH
Robles-Henríquez, Ramiro, Chávez-Vega, Tomás, Gallardo-Fuentes, Sebastián, Lodeiro, Lucas, Lühr, Susan, Vilches-Herrera, Marcelo
Published in Organic & biomolecular chemistry (21.12.2022)
Published in Organic & biomolecular chemistry (21.12.2022)
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Journal Article
Alloy [FA,Cs]PbI3 perovskite surfaces: The role of surface cesium composition in stability and tolerance to defect formation
Montero-Alejo, Ana L., Silva-Portales, María José, Lodeiro, Lucas, Menéndez-Proupin, Eduardo
Published in The Journal of physics and chemistry of solids (01.09.2024)
Published in The Journal of physics and chemistry of solids (01.09.2024)
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Journal Article
Hydrogen Bonds in Lead Halide Perovskites: Insights from Ab Initio Molecular Dynamics
Garrote-Márquez, Alejandro, Lodeiro, Lucas, Suresh, Rahul, Cruz Hernández, Norge, Grau-Crespo, Ricardo, Menéndez-Proupin, Eduardo
Published in Journal of physical chemistry. C (17.08.2023)
Published in Journal of physical chemistry. C (17.08.2023)
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Journal Article
Atomic-Scale Model and Electronic Structure of Cu 2 O/CH 3 NH 3 PbI 3 Interfaces in Perovskite Solar Cells
Castellanos-Águila, Jesús E., Lodeiro, Lucas, Menéndez-Proupin, Eduardo, Montero-Alejo, Ana L., Palacios, Pablo, Conesa, José C., Wahnón, Perla
Published in ACS applied materials & interfaces (07.10.2020)
Published in ACS applied materials & interfaces (07.10.2020)
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Journal Article
Atomic-Scale Model and Electronic Structure of Cu2O/CH3NH3PbI3 Interfaces in Perovskite Solar Cells
Castellanos-Águila, Jesús E, Lodeiro, Lucas, Menéndez-Proupin, Eduardo, Montero-Alejo, Ana L, Palacios, Pablo, Conesa, José C, Wahnón, Perla
Published in ACS applied materials & interfaces (07.10.2020)
Published in ACS applied materials & interfaces (07.10.2020)
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Journal Article