LUCAS GARCIA VERGA

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Publications (26)

• Key role of oxidizing species driving water oxidation revealed by time-resolved optical and X-ray spectroscopies
  Caiwu Liang, Lucas G. Verga, Benjamin Moss +17 more
  Nature Materials 2026 DOI: 10.1038/s41563-026-02514-9
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• Optical spectroscopic determination of photoexcited small-polaron hopping in transition metal oxide photocatalysts
  Chemical Science 2026 DOI: 10.1039/D5SC08101G
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• Computational screening of silver-based single-atom alloys catalysts for CO2 reduction
  The Journal of Chemical Physics 2024 DOI: 10.1063/5.0192055
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• PyTASER: Simulating transient absorption spectroscopy (TAS) for crystals from first principles
  Journal of Open Source Software 2024 DOI: 10.21105/joss.05999
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• Theoretical Tuning of the Cu/S Ratio on Two-Dimensional CuSx Materials for the CO2 Electrochemical Reduction Reaction
  The Journal of Physical Chemistry C 2023 DOI: 10.1021/acs.jpcc.3c05682
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• Ab initio study for late steps of CO2 and CO electroreduction: from CHCO* toward C2 products on Cu and CuZn nanoclusters
  Physical Chemistry Chemical Physics 2023 DOI: 10.1039/D3CP03315E
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• The effects of near-surface atomic order on the catalytic properties of Cu3Au and CuAu3 intermetallics for the CO2 reduction reaction
  Catalysis Science & Technology 2023 DOI: 10.1039/D3CY00658A
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• The role of single-atom Rh-dopants in the adsorption properties of OH and CO on stepped Ag(211) surfaces
  Physical Chemistry Chemical Physics 2023 DOI: 10.1039/D2CP04376A
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• Ab initio study of the adsorption properties of CO2 reduction intermediates: The effect of Ni5Ga3 alloy and the Ni5Ga3/ZrO2 interface
  The Journal of Chemical Physics 2022 DOI: 10.1063/5.0091145
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• Exploring the adsorption site coordination as a strategy to tune copper catalysts for CO2 electro-reduction
  Catalysis Science & Technology 2022 DOI: 10.1039/D1CY02010B
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• Ab Initio Study of the C–O Bond Dissociation in CO2 Reduction by Redox and Carboxyl Routes on 3d Transition Metal Systems
  The Journal of Physical Chemistry C 2021 DOI: 10.1021/acs.jpcc.1c05468
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• Ab Initio Study of CO2 Activation on Pristine and Fe-Decorated WS2 Nanoflakes
  The Journal of Physical Chemistry A 2021 DOI: 10.1021/acs.jpca.1c04436
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• Ab initio screening of Pt-based transition-metal nanoalloys using descriptors derived from the adsorption and activation of CO2
  Physical Chemistry Chemical Physics 2021 DOI: 10.1039/D1CP00570G
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• The role of site coordination on the CO2 electroreduction pathway on stepped and defective copper surfaces
  Catalysis Science & Technology 2021 DOI: 10.1039/D0CY02337J
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• Atom-projected and angular momentum resolved density of states in the ONETEP code
  Electronic Structure 2019 DOI: 10.1088/2516-1075/ab34f5
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• Vortex Dynamic Phases in Type II Superconducting Strips with Regular and Flattened Triangular Pinning Arrays
  2018 DOI: 10.1007/s10948-018-4821-6
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• Surface Effects on the Dynamic Behavior of Vortices in Type II Superconducting Strips with Periodic and Conformal Pinning Arrays
  2018 DOI: 10.1007/s10948-017-4452-3
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• DFT calculation of oxygen adsorption on platinum nanoparticles: coverage and size effects
  2018 DOI: 10.1039/c7fd00218a
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• DFT modeling of metallic nanoparticles
  2018 DOI: 10.1016/b978-0-08-102232-0.00008-7
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• Ethanol, O, and CO adsorption on Pt nanoparticles: effects of nanoparticle size and graphene support
  Physical Chemistry Chemical Physics 2018 DOI: 10.1039/C8CP04798G
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