JUAN MARIA
GARCIA LASTRA
Forscher/in in der Zeit 2006-2013
Technical University of Denmark
Kongens Lyngby, DinamarcaPublikationen in Zusammenarbeit mit Forschern von Technical University of Denmark (46)
2023
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A practical perspective on the potential of rechargeable Mg batteries
Energy and Environmental Science
2018
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Does the breaking of adsorption-energy scaling relations guarantee enhanced electrocatalysis?
Current Opinion in Electrochemistry, Vol. 8, pp. 110-117
2016
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Decacyclene Trianhydride at Functional Interfaces: An Ideal Electron Acceptor Material for Organic Electronics
Journal of Physical Chemistry Letters, Vol. 7, Núm. 1, pp. 90-95
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Electronic Structure of Low-Dimensional Carbon π-Systems
Journal of Physical Chemistry C, Vol. 120, Núm. 23, pp. 12362-12368
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How covalence breaks adsorption-energy scaling relations and solvation restores them
Chemical Science, Vol. 8, Núm. 1, pp. 124-130
2015
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Design of two-photon molecular tandem architectures for solar cells by ab initio theory
Chemical Science, Vol. 6, Núm. 5, pp. 3018-3025
2014
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Asymmetric response toward molecular fluorination in binary copper-phthalocyanine/pentacene assemblies
Journal of Physical Chemistry C, Vol. 118, Núm. 32, pp. 18626-18630
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Bandgap calculations and trends of organometal halide perovskites
APL Materials, Vol. 2, Núm. 8
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Crystal fields of porphyrins and phthalocyanines from polarization- dependent 2p-to-3d multiplets
Journal of Chemical Physics, Vol. 140, Núm. 11
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Fast prediction of adsorption properties for platinum nanocatalysts with generalized coordination numbers
Angewandte Chemie - International Edition, Vol. 53, Núm. 32, pp. 8316-8319
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Optimizing porphyrins for dye sensitized solar cells using large-scale ab initio calculations
Physical Chemistry Chemical Physics, Vol. 16, Núm. 30, pp. 16246-16254
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Quantifying local and cooperative components in the ferroelectric distortion of BaTiO3: Learning from the off-center motion in the MnCl65- complex formed in KCl:Mn+
Inorganic Chemistry, Vol. 53, Núm. 13, pp. 6534-6543
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Sharp lines due to Cr3+ and Mn2+ impurities in insulators: Going beyond the usual Tanabe-Sugano approach
Journal of Physical Chemistry A, Vol. 118, Núm. 12, pp. 2377-2384
2013
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Colour due to Cr3+ ions in oxides: A study of the model system MgO:Cr3+
Journal of Physics Condensed Matter, Vol. 25, Núm. 17
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Compounds containing tetragonal Cu2+ complexes: Is the d x2-y2-d3z2-r2 gap a direct reflection of the distortion?
Journal of Physical Chemistry Letters, Vol. 4, Núm. 14, pp. 2385-2390
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Computational screening of functionalized zinc porphyrins for dye sensitized solar cells
Physical Chemistry Chemical Physics, Vol. 15, Núm. 44, pp. 19478-19486
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Cu2+ in layered compounds: Origin of the compressed geometry in the model system K2ZnF4:Cu2+
Inorganic Chemistry, Vol. 52, Núm. 12, pp. 6923-6933
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DFT+U study of polaronic conduction in Li2O2 and Li2CO3: Implications for Li-air batteries
Journal of Physical Chemistry C, Vol. 117, Núm. 11, pp. 5568-5577
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Design of solar cell materials via soft X-ray spectroscopy
Journal of Electron Spectroscopy and Related Phenomena, Vol. 190, Núm. PART A, pp. 2-11
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Electronic structure of Fe-vs. Ru-based dye molecules
Journal of Chemical Physics, Vol. 138, Núm. 4