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Issue DateTitleAuthor(s)
1-Oct-2013Effect of alloying elements on in-plane ordering and disordering of solute clusters in Mg-based long-period stacking ordered structures: A first-principles analysisKimizuka, H; Fronzi, M; Ogata, S
1-Dec-2011ZrO <inf>2</inf>-CeO <inf>2</inf> interface properties: A first principle investigationFronzi, M; De Vita, A; Tateyama, Y; Traversa, E
24-Jan-2019Design of Photocatalysts for CO <inf>2</inf> Reduction from First PrinciplesNolan, M; Rhatigan, S; Daly, W; Fronzi, M
1-Jan-2018High-performance Na ion cathodes based on the ubiquitous and reversible O redox reactionAssadi, MHN; Fronzi, M; Ford, M; Shigeta, Y
11-Mar-2014CH<inf>x</inf> adsorption (x = 1-4) and thermodynamic stability on the CeO<inf>2</inf>(111) surface: A first-principles investigationFronzi, M; Piccinin, S; Delley, B; Traversa, E; Stampfl, C
1-Jan-2018Magnetic properties of stoichiometric and defective Co<inf>9</inf>S<inf>8</inf>Fronzi, M; Tawfik, SA; Stampfl, C; Ford, MJ
1-Jan-2019Impressive performance of proton-conducting solid oxide fuel cells using a first-generation cathode with tailored cationsXu, X; Wang, H; Ma, J; Liu, W; Wang, X; Fronzi, M; Bi, L
1-Apr-2019Activation of CO<inf>2</inf> at chromia-nanocluster-modified rutile and anatase TiO<inf>2</inf>Nolan, M; Fronzi, M
3-Aug-2012Ab 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
12-Jul-2018Stability 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
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