Role of the Support in Gold-Containing Nanoparticles as Heterogeneous Catalysts von Sankar, Meenakshisundaram, He, Qian, Engel, Rebecca V, Sainna, Mala A, Logsdail, Andrew J, Roldan, Alberto, Willock, David J, Agarwal, Nishtha, Kiely, Christopher J, Hutchings, Graham J

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Designer Titania-Supported Au–Pd Nanoparticles for Efficient Photocatalytic Hydrogen Production von Su, Ren, Tiruvalam, Ramchandra, Logsdail, Andrew J, He, Qian, Downing, Christopher A, Jensen, Mikkel T, Dimitratos, Nikolaos, Kesavan, Lokesh, Wells, Peter P, Bechstein, Ralf, Jensen, Henrik H, Wendt, Stefan, Catlow, C. Richard A, Kiely, Christopher J, Hutchings, Graham J, Besenbacher, Flemming

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Polymorph Engineering of TiO2: Demonstrating How Absolute Reference Potentials Are Determined by Local Coordination von Buckeridge, John, Butler, Keith T, Catlow, C. Richard A, Logsdail, Andrew J, Scanlon, David O, Shevlin, Stephen A, Woodley, Scott M, Sokol, Alexey A, Walsh, Aron

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Main-group test set for materials science and engineering with user-friendly graphical tools for error analysis: systematic benchmark of the numerical and intrinsic errors in state... von Zhang, Igor Ying, Logsdail, Andrew J, Ren, Xinguo, Levchenko, Sergey V, Ghiringhelli, Luca, Scheffler, Matthias

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Computational infrared and Raman spectra by hybrid QM/MM techniques: a study on molecular and catalytic material systems von Guan, Jingcheng, Lu, You, Sen, Kakali, Abdul Nasir, Jamal, Desmoutier, Alec W, Hou, Qing, Zhang, Xingfan, Logsdail, Andrew J, Dutta, Gargi, Beale, Andrew M, Strange, Richard W, Yong, Chin, Sherwood, Paul, Senn, Hans M, Catlow, C Richard A, Keal, Thomas W, Sokol, Alexey A

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A Selective Blocking Method To Control the Overgrowth of Pt on Au Nanorods von Fennell, John, He, Dongsheng, Tanyi, Anicetus Muche, Logsdail, Andrew J, Johnston, Roy L, Li, Z. Y, Horswell, Sarah L

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Bulk ionization potentials and band alignments from three-dimensional periodic calculations as demonstrated on rocksalt oxides von Logsdail, Andrew J., Scanlon, David O., Catlow, C. Richard A., Sokol, Alexey A.

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Predicting the Optical Properties of Core–Shell and Janus Segregated Au–M Nanoparticles (M = Ag, Pd) von Logsdail, Andrew J, Johnston, Roy L

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Morphological Features and Band Bending at Nonpolar Surfaces of ZnO von Mora-Fonz, David, Buckeridge, John, Logsdail, Andrew J, Scanlon, David O, Sokol, Alexey A, Woodley, Scott, Catlow, C. Richard A

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Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework von Berger, Daniel, Logsdail, Andrew J, Oberhofer, Harald, Farrow, Matthew R, Catlow, C Richard A, Sherwood, Paul, Sokol, Alexey A, Blum, Volker, Reuter, Karsten

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Tailoring Gold Nanoparticle Characteristics and the Impact on Aqueous-Phase Oxidation of Glycerol von Rogers, Scott M, Catlow, C. Richard A, Chan-Thaw, Carine E, Gianolio, Diego, Gibson, Emma K, Gould, Anna L, Jian, Nan, Logsdail, Andrew J, Palmer, Richard E, Prati, Laura, Dimitratos, Nikolaos, Villa, Alberto, Wells, Peter P

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Understanding the Thermal Stability of Silver Nanoparticles Embedded in a‑Si von Gould, Anna L, Kadkhodazadeh, Shima, Wagner, Jakob B, Catlow, C. Richard A, Logsdail, Andrew J, Di Vece, Marcel

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Dehydrogenation and dehydration of formic acid over orthorhombic molybdenum carbide von Agrawal, Kushagra, Roldan, Alberto, Kishore, Nanda, Logsdail, Andrew J.

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Coexistence of carbonyl and ether groups on oxygen-terminated (110)-oriented diamond surfaces von Chaudhuri, Shayantan, Hall, Samuel J., Klein, Benedikt P., Walker, Marc, Logsdail, Andrew J., Macpherson, Julie V., Maurer, Reinhard J.

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Evaluating the Role of Anharmonic Vibrations in Zeolite β Materials von Beynon, Owain T., Owens, Alun, Carbogno, Christian, Logsdail, Andrew J.

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Stability of Single Gold Atoms on Defective and Doped Diamond Surfaces von Chaudhuri, Shayantan, Logsdail, Andrew J., Maurer, Reinhard J.

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Band alignment of rutile and anatase TiO2 von Scanlon, David O., Dunnill, Charles W., Buckeridge, John, Shevlin, Stephen A., Logsdail, Andrew J., Woodley, Scott M., Catlow, C. Richard A., Powell, Michael. J., Palgrave, Robert G., Parkin, Ivan P., Watson, Graeme W., Keal, Thomas W., Sherwood, Paul, Walsh, Aron, Sokol, Alexey A.

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Heterogeneous Trimetallic Nanoparticles as Catalysts von Crawley, James W M, Gow, Isla E, Lawes, Naomi, Kowalec, Igor, Kabalan, Lara, Catlow, C Richard A, Logsdail, Andrew J, Taylor, Stuart H, Dummer, Nicholas F, Hutchings, Graham J

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A computational study of direct CO2 hydrogenation to methanol on Pd surfaces von Kowalec, Igor, Kabalan, Lara, Catlow, C Richard A, Logsdail, Andrew J

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Computational Study of the Solid-State Incorporation of Sn(II) Acetate into Zeolite β von Beynon, Owain T., Owens, Alun, Tarantino, Giulia, Hammond, Ceri, Logsdail, Andrew J.

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