Browsing by Author Fronzi, M

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Showing results 1 to 18 of 18
Issue DateTitleAuthor(s)
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
30-Sep-2018Ab Initio Investigation of Water Adsorption and Hydrogen Evolution on Co <inf>9</inf> S <inf>8</inf> and Co <inf>3</inf> S <inf>4</inf> Low-Index SurfacesFronzi, M; Assadi, MHN; Ford, MJ
1-Apr-2019Activation of CO<inf>2</inf> at chromia-nanocluster-modified rutile and anatase TiO<inf>2</inf>Nolan, M; Fronzi, M
15-Feb-2015Atomistic investigation of vacancy assisted diffusion mechanism in Mg ternary (Mg-RE-M) alloysFronzi, M; Kimizuka, H; Ogata, S
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
24-Jan-2019Design of Photocatalysts for CO <inf>2</inf> Reduction from First PrinciplesNolan, M; Rhatigan, S; Daly, W; Fronzi, M
27-Mar-2018Deterministic Nanopatterning of Diamond Using Electron BeamsBishop, J; Fronzi, M; Elbadawi, C; Nikam, V; Pritchard, J; Fröch, JE; Duong, NMH; Ford, MJ; Aharonovich, I; Lobo, CJ; Toth, M
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
22-Dec-2017Efficiency Enhancement of Single-Walled Carbon Nanotube-Silicon Heterojunction Solar Cells Using Microwave-Exfoliated Few-Layer Black PhosphorusBat-Erdene, M; Batmunkh, M; Tawfik, SA; Fronzi, M; Ford, MJ; Shearer, CJ; Yu, LP; Dadkhah, M; Gascooke, JR; Gibson, CT; Shapter, JG
1-Jan-2017First-principles analysis of the stability of water on oxidised and reduced CuO(111) surfacesFronzi, M; Nolan, M
28-Sep-2017First-principles investigation of quantum emission from hBN defectsTawfik, SA; Ali, S; Fronzi, M; Kianinia, M; Tran, TT; Stampfl, C; Aharonovich, I; Toth, M; Ford, MJ
1-Jan-2018High-performance Na ion cathodes based on the ubiquitous and reversible O redox reactionAssadi, MHN; Fronzi, M; Ford, M; Shigeta, Y
1-Nov-2019Improving the sinterability of CeO<inf>2</inf> by using plane-selective nanocubesDan, X; Wang, C; Xu, X; Liu, Y; Cheng, X; Fronzi, M; Bi, L; Zhao, XS
1-Jan-2018Magnetic properties of stoichiometric and defective Co<inf>9</inf>S<inf>8</inf>Fronzi, M; Tawfik, SA; Stampfl, C; Ford, MJ
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
1-Jan-2017Surface modification of perfect and hydroxylated TiO<inf>2</inf> rutile (110) and anatase (101) with chromium oxide nanoclustersFronzi, M; Nolan, M
1-Jun-2019Theoretical insights into the hydrophobicity of low index CeO <inf>2</inf> surfacesFronzi, M; Assadi, MHN; Hanaor, DAH
1-Dec-2011ZrO <inf>2</inf>-CeO <inf>2</inf> interface properties: A first principle investigationFronzi, M; De Vita, A; Tateyama, Y; Traversa, E