Publications (85) María Pilar Carro Reglero publications

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2025

  1. Theoretical Insights into Metal-Catalyzed Associative Electrochemical Conversion of NOx in Aqueous Solution

    Journal of Physical Chemistry C, Vol. 129, Núm. 16, pp. 7696-7703

  2. Theoretical Insights into Metal-Catalyzed Associative Electrochemical Conversion of NOx in Aqueous Solution

    Journal of Physical Chemistry C

2024

  1. Electrografting of aryl amines on graphitic surfaces: An alternative to diazonium salts?

    Applied Surface Science, Vol. 663

2022

  1. Chemical Defect-Driven Response on Graphene-Based Chemiresistors for Sub-ppm Ammonia Detection

    Angewandte Chemie - International Edition, Vol. 61, Núm. 16

  2. Competition between metal-catalysed electroreduction of dinitrogen, protons, and nitrogen oxides: a DFT perspective

    Catalysis Science and Technology, Vol. 12, Núm. 9, pp. 2856-2864

  3. Effect of Ligands on the Stability of Gold Nanoclusters

    The journal of physical chemistry letters, Vol. 13, Núm. 28, pp. 6475-6480

2021

  1. Unraveling the Causes of the Instability of Au n(SR) xNanoclusters on Au(111)

    Chemistry of Materials, Vol. 33, Núm. 9, pp. 3428-3435

2020

  1. Dynamics of RS-(Au-SR)x Staple Motifs on Metal Surfaces: From Nanoclusters to 2D Surfaces

    Journal of Physical Chemistry C, Vol. 124, Núm. 9, pp. 5452-5459

  2. Shedding Light on the Interfacial Structure of Low-Coverage Alkanethiol Lattices

    Journal of Physical Chemistry C, Vol. 124, Núm. 49, pp. 26748-26758

2019

  1. Gold adatoms modulate sulfur adsorption on gold

    Nanoscale, Vol. 11, Núm. 41, pp. 19341-19351

  2. New aspects of the surface chemistry of sulfur on Au(111): Surface structures formed by gold-sulfur complexes

    Applied Surface Science, Vol. 487, pp. 848-856

2018

  1. Combining Electrochemistry and Computational Chemistry to Understand Aryl-Radical Formation in Electrografting Processes

    Journal of Chemical Education, Vol. 95, Núm. 8, pp. 1386-1391

  2. Ejercicios computacionales de mecácnica cuántica y termodinámica estadística

    Universidad de La Laguna

  3. Electronic Structure of a Self-Assembled Monolayer with Two Surface Anchors: 6-Mercaptopurine on Au(111)

    Langmuir, Vol. 34, Núm. 20, pp. 5696-5702

  4. Morphological Changes in Electrografted Aryl-Based Thin Films Induced by using Diazonium Salts or Aryl Iodides

    ChemElectroChem, Vol. 5, Núm. 3, pp. 464-470

  5. Polymorphism and metal-induced structural transformation in 5,5′-bis(4-pyridyl)(2,2′-bispyrimidine) adlayers on Au(111)

    Physical Chemistry Chemical Physics, Vol. 20, Núm. 23, pp. 15960-15969

  6. Role of Gold Adatoms in the Adsorption of Sulfide Species on the Gold(001)-hex Surface

    Journal of Physical Chemistry C, Vol. 122, Núm. 4, pp. 2207-2214

  7. Solving the Long-Standing Controversy of Long-Chain Alkanethiols Surface Structure on Au(111)

    Journal of Physical Chemistry C, Vol. 122, Núm. 7, pp. 3893-3902

  8. The electrochemical stability of thiols on gold surfaces

    Journal of Electroanalytical Chemistry, Vol. 819, pp. 234-239

2017

  1. 6-Mercaptopurine Self-Assembled Monolayers on Gold (001)-Hex: Revealing the Fate of Gold Adatoms

    Journal of Physical Chemistry C, Vol. 121, Núm. 16, pp. 8938-8943