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Issue DateTitleAuthor(s)
2-Nov-2016The atomistic structure of yttria stabilised zirconia at 6.7 mol%: an ab initio study.Parkes, MA; Tompsett, DA; D'Avezac, M; Offer, GJ; Brandon, NP, et al
1-Jan-2019Beyond band bending in the WO3/BiVO4 heterojunction: insight from DFT and experimentRafols i Belles, C; Selim, S; Harrison, NM; Ahmad, EA; Kafizas, A, et al
5-Dec-2017Influence of water intercalation and hydration on chemical decomposition and ion transport in methylammonium lead halide perovskitesJong, UG; Yu, CJ; Ri, GC; McMahon, AP; Harrison, NM, et al
16-Apr-2019First principles calculations on the stoichiometric and defective (101) anatase surface and upon hydrogen and H2Pc adsorption: The Influence of electronic exchange and correlation and of basis set approximationsMartinez-Casado, R; Todorovi, M; Mallia, G; Harrison, NM; Perez, R, et al
28-Apr-2017A model for time-dependent grain boundary diffusion of ions and electrons through a film or scale, with an application to aluminaTautschnig, MP; Harrison, NM; Finnis, MW; BP International Limited; Engineering & Physical Science Research Council (EPSRC)
21-Jun-2016A combined thermodynamics and first principles study of the electronic, lattice and magnetic contributions to the magnetocaloric effect in La0.75Ca0.25MnO3Korotana, RK; Mallia, G; Fortunato, NM; Amaral, JS; Gercsi, Z, et al
21-Jan-2018Influence of water intercalation and hydration on chemical decomposition and ion transport in methylammonium lead halide perovskitesJong, U-G; Yu, C-J; Ri, G-C; McMahon, AP; Harrison, NM, et al