Browsing byAuthorFronzi, M

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Issue DateTitleAuthor(s)
2022-01-24A bright future for engineering piezoelectric 2D crystals.Sherrell, PC; Fronzi, M; Shepelin, NA; Corletto, A; Winkler, DA; Ford, M; Shapter, JG; Ellis, AV
2023-01-01A Predictive Model for Monolayer-Selective Metal-Mediated MoS<inf>2</inf> Exfoliation Incorporating ElectrostaticsCorletto, A; Fronzi, M; Joannidis, AK; Sherrell, PC; Ford, MJ; Winkler, DA; Shapter, JG; Bullock, J; Ellis, AV
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
2018-09-30Ab 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
2019-04-01Activation of CO<inf>2</inf> at chromia-nanocluster-modified rutile and anatase TiO<inf>2</inf>Nolan, M; Fronzi, M
2021-08-22Active Learning in Bayesian Neural Networks for Bandgap Predictions of Novel Van der Waals HeterostructuresFronzi, M; Isayev, O; Winkler, DA; Shapter, JG; Ellis, AV; Sherrell, PC; Shepelin, NA; Corletto, A; Ford, MJ
2015-02-15Atomistic investigation of vacancy assisted diffusion mechanism in Mg ternary (Mg-RE-M) alloysFronzi, M; Kimizuka, H; Ogata, S
2014-03-11CH<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
2022-12-01Correction to: Modification of a first‑generation solid oxide fuel cell cathode with Co<inf>3</inf>O<inf>4</inf> nanocubes having selectively exposed crystal planes (Materials for Renewable and Sustainable Energy, (2019), 8, 3, (15), 10.1007/s40243-019-0154-z)Xu, X; Wang, C; Fronzi, M; Liu, X; Bi, L
2016-07Design of Novel Visible Light Active Photocatalyst Materials: Surface Modified TiO2.Nolan, M; Iwaszuk, A; Lucid, AK; Carey, JJ; Fronzi, M
2019-01-24Design of Photocatalysts for CO <inf>2</inf> Reduction from First PrinciplesNolan, M; Rhatigan, S; Daly, W; Fronzi, M
2018-03-27Deterministic 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
2013-10-01Effect 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
2017-12-22Efficiency 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
2022-09Energy Interplay in Materials: Unlocking Next-Generation Synchronous Multisource Energy Conversion with Layered 2D Crystals.Corletto, A; Ellis, AV; Shepelin, NA; Fronzi, M; Winkler, DA; Shapter, JG; Sherrell, PC
2022-11-03Evaluation of Machine Learning Interatomic Potentials for the Properties of Gold Nanoparticles.Fronzi, M; Amos, RD; Kobayashi, R; Matsumura, N; Watanabe, K; Morizawa, RK
2017-01-01First-principles analysis of the stability of water on oxidised and reduced CuO(111) surfacesFronzi, M; Nolan, M
2017-09-28First-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
2016-11-01First-principles molecular dynamics simulations of proton diffusion in cubic BaZrO <inf>3</inf> perovskite under strain conditionsFronzi, M; Tateyama, Y; Marzari, N; Nolan, M; Traversa, E
2020-01-01High Throughput Screening of Millions of van der Waals Heterostructures for Superlubricant ApplicationsFronzi, M; Tawfik, SA; Ghazaleh, MA; Isayev, O; Winkler, DA; Shapter, J; Ford, MJ