Santos-Carballal D - Search Results

1

Anand M, Baletto F, Bugaev A, Catlow R, Claeys M, Conway M, Davidson M, Davies P, de Leeuw N, Eremin D, Fischer N, Hargreaves J, Hutchings G, Iyer J, Jain D, Jameel F, Kamali AR, Kondrat S, Kowalec I, Kraus P, Reece C, Réocreux R, Santos-Carballal D, Seavill PW, Shozi M, Sinev M, Sinha V, Stamatakis M, Uner D, Vojvodic A, Whiston K, Willock D, Wolf M, Yang B, Zhu B. Anand M, et al. Among authors: santos carballal d. Faraday Discuss. 2021 May 1;229:131-160. doi: 10.1039/d1fd90030g. Epub 2021 May 19. Faraday Discuss. 2021. PMID: 34008631 No abstract available.

2

The role of surface oxidation and Fe-Ni synergy in Fe-Ni-S catalysts for CO₂ hydrogenation.

Mitchell CE, Santos-Carballal D, Beale AM, Jones W, Morgan DJ, Sankar M, de Leeuw NH. Mitchell CE, et al. Faraday Discuss. 2021 Jul 1;230:30-51. doi: 10.1039/d0fd00137f. Epub 2021 Apr 22. Faraday Discuss. 2021. PMID: 33884381 Free article.

3

CO₂ reduction to acetic acid on the greigite Fe₃S₄{111} surface.

Santos-Carballal D, Roldan A, de Leeuw NH. Santos-Carballal D, et al. Faraday Discuss. 2021 Jun 1;229(0):35-49. doi: 10.1039/c9fd00141g. Faraday Discuss. 2021. PMID: 34075915

4

Catalytic formation of oxalic acid on the partially oxidised greigite Fe₃S₄(001) surface.

Santos-Carballal D, de Leeuw NH. Santos-Carballal D, et al. Phys Chem Chem Phys. 2022 Aug 31;24(34):20104-20124. doi: 10.1039/d2cp00333c. Phys Chem Chem Phys. 2022. PMID: 35983830 Free article.

5

Oxygen diffusion in the orthorhombic FeNbO₄ material: a computational study.

Wang X, Santos-Carballal D, de Leeuw NH. Wang X, et al. Among authors: santos carballal d. Phys Chem Chem Phys. 2023 Mar 1;25(9):6797-6807. doi: 10.1039/d2cp04126j. Phys Chem Chem Phys. 2023. PMID: 36789958

6

Exploring the Redox Properties of the Low-Miller Index Surfaces of Copper Tungstate (CuWO₄): Evaluating the Impact of the Environmental Conditions on the Water Splitting and Carbon Dioxide Reduction Processes.

Chu X, Santos-Carballal D, de Leeuw NH. Chu X, et al. Among authors: santos carballal d. J Phys Chem C Nanomater Interfaces. 2023 Sep 15;127(38):18944-18961. doi: 10.1021/acs.jpcc.3c04413. eCollection 2023 Sep 28. J Phys Chem C Nanomater Interfaces. 2023. PMID: 37791103 Free PMC article.

7

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

Roldan A, Santos-Carballal D, de Leeuw NH. Roldan A, et al. J Chem Phys. 2013 May 28;138(20):204712. doi: 10.1063/1.4807614. J Chem Phys. 2013. PMID: 23742505

8

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

Santos-Carballal D, Roldan A, Grau-Crespo R, de Leeuw NH. Santos-Carballal D, et al. Phys Chem Chem Phys. 2014 Oct 21;16(39):21082-97. doi: 10.1039/c4cp00529e. Epub 2014 May 30. Phys Chem Chem Phys. 2014. PMID: 24874778

9

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

Santos-Carballal D, Roldan A, Dzade NY, de Leeuw NH. Santos-Carballal D, et al. Philos Trans A Math Phys Eng Sci. 2018 Jan 13;376(2110):20170065. doi: 10.1098/rsta.2017.0065. Philos Trans A Math Phys Eng Sci. 2018. PMID: 29175834 Free PMC article. Review.

10

Interaction of H₂O with the Platinum Pt (001), (011), and (111) Surfaces: A Density Functional Theory Study with Long-Range Dispersion Corrections.

Ungerer MJ, Santos-Carballal D, Cadi-Essadek A, van Sittert CGCE, de Leeuw NH. Ungerer MJ, et al. J Phys Chem C Nanomater Interfaces. 2019 Nov 14;123(45):27465-27476. doi: 10.1021/acs.jpcc.9b06136. Epub 2019 Sep 25. J Phys Chem C Nanomater Interfaces. 2019. PMID: 32064018 Free PMC article.

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