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Article

Buckeridge, J; Butler, KT; Catlow, CRA; Logsdail, AJ; Scanlon, DO; Shevlin, SA; Woodley, SM; ... Walsh, A; + view all (2015) Polymorph Engineering of TiO2: Demonstrating How Absolute Reference Potentials Are Determined by Local Coordination. Chemistry of Materials , 27 (11) pp. 3844-3851. 10.1021/acs.chemmater.5b00230. Green open access
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Gould, AL; Heard, CJ; Logsdail, AJ; Catlow, CR; (2014) Segregation effects on the properties of (AuAg)₁₄₇. Phys Chem Chem Phys , 16 (39) 21049 - 21061. 10.1039/c4cp00753k. Green open access
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Gould, AL; Kadkhodazadeh, S; Wagner, JB; Catlow, CRA; Logsdail, AJ; Di Vece, M; (2015) Understanding the thermal stability of silver nanoparticles embedded in a-Si. Journal of Physical Chemistry C , 119 (41) pp. 23767-23773. 10.1021/acs.jpcc.5b07324. Green open access
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Logsdail, AJ; Downing, CA; Keal, TW; Sherwood, P; Sokol, AA; Catlow, CRA; (2016) Modelling the chemistry of Mn-doped MgO for bulk and (100) surfaces. Physical Chemistry Chemical Physics , 18 (41) pp. 28648-28660. 10.1039/c6cp04622c. Green open access
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Logsdail, AJ; Mora-Fonz, D; Scanlon, DO; Catlow, CRA; Sokol, AA; (2015) Structural, energetic and electronic properties of (100) surfaces for alkaline earth metal oxides as calculated with hybrid density functional theory. Surface Science , 642 pp. 58-65. 10.1016/j.susc.2015.06.012. Green open access
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Logsdail, AJ; Scanlon, DO; Catlow, CRA; Sokol, AA; (2014) Bulk ionization potentials and band alignments from three-dimensional periodic calculations as demonstrated on rocksalt oxides. PHYSICAL REVIEW B , 90 (15) , Article ARTN 155106. 10.1103/PhysRevB.90.155106. Green open access
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Mora-Fonz, D; Buckeridge, J; Logsdail, AJ; Scanlon, DO; Sokol, AA; Woodley, S; Catlow, CRA; (2015) Morphological Features and Band Bending at Nonpolar Surfaces of ZnO. Journal of Physical Chemistry C , 119 (21) pp. 11598-11611. 10.1021/acs.jpcc.5b01331. Green open access
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O'Malley, AJ; Logsdail, AJ; Sokol, AA; Catlow, CR; (2016) Modelling metal centres, acid sites and reaction mechanisms in microporous catalysts. Faraday Discussions , 188 pp. 235-255. 10.1039/c6fd00010j. Green open access
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Rogers, SM; Catlow, CRA; Chan-Thaw, CE; Gianolio, D; Gibson, EK; Gould, A; Jian, N; ... Wells, PP; + view all (2015) Tailoring Gold Nanoparticle Characteristics and the Impact on Aqueous-Phase Oxidation of Glycerol. ACS Catalysis , 5 (7) 4377- 4384. 10.1021/acscatal.5b00754. Green open access
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Sokol, AA; Farrow, MR; Buckeridge, J; Logsdail, AJ; Catlow, CR; Scanlon, DO; Woodley, SM; (2014) Double bubbles: a new structural motif for enhanced electron-hole separation in solids. Physical Chemistry Chemical Physics , 16 (39) pp. 21098-21105. 10.1039/c4cp01900h. Green open access
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