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Issue DateTitleAuthor(s)
2012-08-03Ab initio investigation of defect formation at ZrO <inf>2</inf>-CeO <inf>2</inf> interfacesFronzi, M; Cereda, S; Tateyama, Y; De Vita, A; Traversa, E
2019-01-24Design of Photocatalysts for CO <inf>2</inf> Reduction from First PrinciplesNolan, M; Rhatigan, S; Daly, W; Fronzi, M
2019-01-01Structure, stability and water adsorption on ultra-thin TiO<inf>2</inf> supported on TiNGutiérrez Moreno, JJ; Fronzi, M; Lovera, P; O'Riordan, A; Ford, MJ; Li, W; Nolan, M
2017-01-01First-principles analysis of the stability of water on oxidised and reduced CuO(111) surfacesFronzi, M; Nolan, M
2018-01-01Magnetic properties of stoichiometric and defective Co<inf>9</inf>S<inf>8</inf>Fronzi, M; Tawfik, SA; Stampfl, C; Ford, MJ
2015-02-15Atomistic investigation of vacancy assisted diffusion mechanism in Mg ternary (Mg-RE-M) alloysFronzi, M; Kimizuka, H; Ogata, S
2011-12-01ZrO <inf>2</inf>-CeO <inf>2</inf> interface properties: A first principle investigationFronzi, M; De Vita, A; Tateyama, Y; Traversa, E
2018-07-12Stability of Adsorbed Water on TiO<inf>2</inf>-TiN Interfaces. A First-Principles and Ab Initio Thermodynamics InvestigationGutiérrez Moreno, JJ; Fronzi, M; Lovera, P; O'Riordan, A; Nolan, M
2019-01-01Tailoring cations in a perovskite cathode for proton-conducting solid oxide fuel cells with high performanceXu, X; Wang, H; Fronzi, M; Wang, X; Bi, L; Traversa, E
2017-01-01Surface modification of perfect and hydroxylated TiO<inf>2</inf> rutile (110) and anatase (101) with chromium oxide nanoclustersFronzi, M; Nolan, M
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