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Number of items: 7.

Article

Quesne, MG, Catlow, RA and De Leeuw, NH orcid.org/0000-0002-8271-0545 (2021) How bulk and surface properties of Ti₄SiC₃, V₄SiC₃, Nb₄SiC³ and Zr₄SiC₃ tune reactivity: A computational study. Faraday Discussions. ISSN 1359-6640 (In Press)

Ramogayana, B, Santos-Carballal, D orcid.org/0000-0002-3199-9588, Aparicio, PA et al. (4 more authors) (2020) Ethylene carbonate adsorption on the major surfaces of lithium manganese oxide Li1−xMn2O4 spinel (0.000 < x < 0.375): a DFT+U-D3 study. Physical Chemistry Chemical Physics, 22 (12). pp. 6763-6771. ISSN 1463-9076

Botha, LM, Santos-Carballal, D, Terranova, U et al. (4 more authors) (2019) Mixing thermodynamics and electronic structure of the Pt1−xNix (0 ≤ x ≤ 1) bimetallic alloy. RSC Advances, 9 (30). pp. 16948-16954. ISSN 2046-2069

Quesne, MG, Roldan, A, de Leeuw, NH orcid.org/0000-0002-8271-0545 et al. (1 more author) (2019) Carbon dioxide and water co-adsorption on the low-index surfaces of TiC, VC, ZrC and NbC: a DFT study. Physical Chemistry Chemical Physics, 21 (20). pp. 10750-10760. ISSN 1463-9076

Quesne, MG, Silveri, F, de Leeuw, NH orcid.org/0000-0002-8271-0545 et al. (1 more author) (2019) Advances in Sustainable Catalysis: A Computational Perspective. Frontiers in Chemistry, 7. 182. ISSN 2296-2646

Silveri, F, Quesne, MG, Roldan, A et al. (2 more authors) (2019) Hydrogen adsorption on transition metal carbides: a DFT study. Physical Chemistry Chemical Physics, 21 (10). pp. 5335-5343. ISSN 1463-9076

Quesne, MG, Roldan, A, de Leeuw, NH orcid.org/0000-0002-8271-0545 et al. (1 more author) (2018) Bulk and surface properties of metal carbides: implications for catalysis. Physical Chemistry Chemical Physics, 20 (10). pp. 6905-6916. ISSN 1463-9076

This list was generated on Sat Feb 13 14:08:45 2021 GMT.