Juan Maria García Lastra

Juan Maria García Lastra

Lektor

DTU ENERGI
Institut for Energikonvertering og -lagring

Danmarks Tekniske Universitet

Anker Engelunds Vej

Bygning 301, rum 112

2800 Kgs. Lyngby

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Publikationer
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2020
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Superoxide formation in Li2VO2F cathode material-a combined computational and experimental investigation of anionic redox activity

Chang, Jinhyun ; Baur, Christian ; Ateba Mba, Jean Marcel ; Arčon, Denis ; Mali, Gregor ; Alwast, Dorothea ; Behm, R. Jürgen ; Fichtner, Maximilian ; Vegge, Tejs ; Garcia Lastra, Juan Maria
in: Journal of Materials Chemistry A, vol: 8, issue: 32, pages: 16551-16559

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1039/d0ta06119k

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The effect of CO2 contamination in rechargeable non-aqueous sodium–air batteries

Benti, Natei Ermias ; Mekonnen, Yedilfana Setarge ; Christensen, Rune ; Tiruye, Girum Ayalneh ; García Lastra, Juan Maria ; Vegge, Tejs
in: Journal of Chemical Physics, vol: 152, issue: 7

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1063/1.5141931

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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
in: A I P Advances, vol: 10, issue: 6

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2020     |    DOI: https://doi.org/10.1063/5.0004722

 

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 de Busturia, David ; García Lastra, Juan Maria ; Tiemblo, Pilar
in: ChemSusChem

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    År: 2020     |    DOI: https://doi.org/10.1002/cssc.202001557

2019
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A Protocol for Fast Prediction of Electronic and Optical Properties of Donor-Acceptor Polymers Using Density Functional Theory and the Tight-Binding Method

Mesta, Murat ; Chang, Jinhyun ; Shil, Suranjan ; Thygesen, Kristian Sommer ; García Lastra, Juan Maria
in: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol: 123, issue: 23, pages: 4980-4989

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2019     |    DOI: https://doi.org/10.1021/acs.jpca.9b02391

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Charge Transport in Alkali-Metal Superoxides: A Systematic First-Principles Study

Mathiesen, Nicolai Rask ; Yang, Sheng ; García-Lastra, Juan Maria ; Vegge, Tejs ; Siegel, Donald J.
in: Chemistry of Materials, vol: 31, issue: 21, pages: 9156-9167

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2019     |    DOI: https://doi.org/10.1021/acs.chemmater.9b03592

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CLEASE: A versatile and user-friendly implementation of Cluster Expansion method

Chang, Jinhyun ; Kleiven, David ; Melander, Marko ; Akola, Jaakko ; García Lastra, Juan Maria ; Vegge, Tejs
in: Journal of Physics: Condensed Matter, vol: 31, issue: 32

Type: Journal article (Peer reviewed)

Status: Published     |    År: 2019     |    DOI: https://doi.org/10.1088/1361-648X/ab1bbc

 

CLEASE: Implementation of cluster expansion method in atomic simulation environment package

García Lastra, Juan Maria ; Chang, Jin ; Vegge, Tejs
in: American Chemical Society. Abstracts of Papers (at the National Meeting), vol: 257
Presented at:
257th ACS National Meeting and Exposition

Type: Conference abstract in journal (Peer reviewed)

Status: Published     |    År: 2019