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List of works by David Santos-Carballal

A DFT study of the structures, stabilities and redox behaviour of the major surfaces of magnetite Fe₃O₄.

scientific article published on 30 May 2014

A comparative DFT study of the mechanical and electronic properties of greigite Fe3S4 and magnetite Fe3O4

scientific article published on 01 May 2013

CO interaction with violarite (FeNiS) surfaces: a dispersion-corrected DFT study

scientific article published in 2018

Conformational and NMR study of some furan derivatives by DFT methods.

scientific article published on 22 August 2013

Ethylene carbonate adsorption on the major surfaces of lithium manganese oxide Li1-xMn2O4 spinel (0.000 < x < 0.375): a DFT+U-D3 study

scientific article published on 13 March 2020

First-principles study of the inversion thermodynamics and electronic structure ofFeM2X4(thio)spinels (M=Cr, Mn, Co, Ni;X=O, S)

scholarly article in Physical Review B, vol. 91 no. 19, May 2015

Insight into the Nature of Iron Sulfide Surfaces During the Electrochemical Hydrogen Evolution and CO2 Reduction Reactions

scientific article published on 11 September 2018

Reactivity of CO2 on the surfaces of magnetite (Fe3O4), greigite (Fe3S4) and mackinawite (FeS).

scientific article published in January 2018

Tuning ZnO Sensors Reactivity toward Volatile Organic Compounds via Ag Doping and Nanoparticle Functionalization

scientific article published on 14 August 2019

Tuning doping and surface functionalization of columnar oxide films for volatile organic compound sensing: experiments and theory

scientific article published in 2018

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