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Physical Chemistry Chemical Physics : PCCP|August 19, 2022
Catalytic formation of oxalic acid on the partially oxidised greigite Fe<sub>3</sub>S<sub>4</sub>(001) surfaceDavid Santos-Carballal, Nora H de Leeuw
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|April 23, 2025
Vacancy Ordering in Fe-Deficient Iron Sulfide with the NiAs-Type StructureDavid Santos-Carballal, Nora H de Leeuw
The Journal of Chemical Physics|April 18, 2024
Cation doping and oxygen vacancies in the orthorhombic FeNbO4 material for solid oxide fuel cell applications: A density functional theory studyXingyu Wang, David Santos-Carballal, Nora H de Leeuw
Physical Chemistry Chemical Physics : PCCP|November 11, 2024
Water adsorption at the (010) and (101) surfaces of CuWO<sub>4</sub>Xuan Chu, David Santos-Carballal, Nora H de Leeuw
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|January 20, 2025
Dissociation of Hydrogen and Formation of Water at the (010) and (111) Surfaces of Orthorhombic FeNbO<sub>4</sub>Xingyu Wang, David Santos-Carballal, Nora H de Leeuw
Faraday Discussions|June 2, 2021
CO<sub>2</sub> reduction to acetic acid on the greigite Fe<sub>3</sub>S<sub>4</sub>{111} surfaceDavid Santos-Carballal, Alberto Roldan, Nora H de Leeuw
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|October 4, 2023
Exploring the Redox Properties of the Low-Miller Index Surfaces of Copper Tungstate (CuWO<sub>4</sub>): Evaluating the Impact of the Environmental Conditions on the Water Splitting and Carbon Dioxide Reduction ProcessesXuan Chu, David Santos-Carballal, Nora H de Leeuw
Physical Chemistry Chemical Physics : PCCP|February 15, 2023
Oxygen diffusion in the orthorhombic FeNbO<sub>4</sub> material: a computational studyXingyu Wang, David Santos-Carballal, Nora H de Leeuw
Physical Chemistry Chemical Physics : PCCP|May 31, 2014
A DFT study of the structures, stabilities and redox behaviour of the major surfaces of magnetite Fe₃O₄David Santos-Carballal, Alberto Roldan, Ricardo Grau-Crespo, et al.
ACS Omega|June 30, 2020
Atomistic Molecular Dynamics Simulations of Propofol and Fentanyl in Phosphatidylcholine Lipid BilayersChristopher Faulkner, David Santos-Carballal, David F Plant, et al.
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