1. A density functional theory study of the hydrogenation and reduction of the thio-spinel Fe3S4{111} surface. Issue 5 (17th January 2019) Authors: Roldan, Alberto; de Leeuw, Nora H. Journal: Physical chemistry chemical physics Issue: Volume 21:Issue 5(2019) Page Start: 2426 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. A kinetic model of water adsorption, clustering and dissociation on the Fe3S4{001} surface. Issue 19 (26th April 2017) Authors: Roldan, Alberto; de Leeuw, Nora H. Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 19(2017) Page Start: 12045 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Benzyl alcohol oxidation with Pd-Zn/TiO2: computational and experimental studies. Issue 1 (31st December 2019) Authors: Nowicka, Ewa; Althahban, Sultan; Leah, Tom D.; Shaw, Greg; Morgan, David; Kiely, Christopher J.; Roldan, Alberto; Hutchings, Graham J. Journal: Science and technology of advanced materials Issue: Volume 20:Issue 1(2019) Page Start: 367 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors. (24th July 2020) Authors: Morteo-Flores, Fabian; Engel, Julien; Roldan, Alberto Journal: Philosophical transactions Issue: Volume 378:Number 2176(2020) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors. (6th July 2020) Authors: Morteo-Flores, Fabian; Engel, Julien; Roldan, Alberto Journal: Philosophical transactions Issue: Volume 378:Number 2176(2020) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Bulk and surface properties of metal carbides: implications for catalysis. Issue 10 (20th February 2018) Authors: Quesne, Matthew G.; Roldan, Alberto; de Leeuw, Nora H.; Catlow, C. Richard A. Journal: Physical chemistry chemical physics Issue: Volume 20:Issue 10(2018) Page Start: 6905 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Carbon dioxide and water co-adsorption on the low-index surfaces of TiC, VC, ZrC and NbC: a DFT study. Issue 20 (14th May 2019) Authors: Quesne, Matthew G.; Roldan, Alberto; de Leeuw, Nora H.; Catlow, C. Richard A. Journal: Physical chemistry chemical physics Issue: Volume 21:Issue 20(2019) Page Start: 10750 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Catalysis for Fuels: general discussion. (21st April 2017) Authors: Niemantsverdriet, Hans; van Helden, Pieter; Hensen, Emiel; Lennon, David; Holt, Katherine; Hutchings, Graham; Bowker, Michael; Catlow, Richard; Shozi, Mzamo; Jewell, Linda; Claeys, Michael; Hayward, James; Coville, Neil; Fischer, Nico; Roldan, Alberto; Redekop, Evjeniy; Gambu, Thobani; Deeplal, L... Journal: Faraday discussions Issue: Volume 197(2017) Page Start: 165 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Catalyst design from theory to practice: general discussion. (21st June 2016) Authors: Campbell, Charles; van Santen, Rutger; Stamatakis, Michail; Collis, Nicola; Freund, Hans-Joachim; Plaisance, Craig; Sauer, Joachim; Garrett, Bruce; Gross, Elad; Kotarba, Andrzej; Weckhuysen, Bert; Ueda, Wataru; Reece, Christian; Catlow, Richard; Trunschke, Annette; Briquet, Ludovic; Ho, Viet Than... Journal: Faraday discussions Issue: Volume 188(2016) Page Start: 279 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. CO2 interaction with violarite (FeNi2S4) surfaces: a dispersion-corrected DFT study. Issue 31 (25th July 2018) Authors: Posada-Pérez, Sergio; Santos-Carballal, David; Terranova, Umberto; Roldan, Alberto; Illas, Francesc; de Leeuw, Nora H. Journal: Physical chemistry chemical physics Issue: Volume 20:Issue 31(2018) Page Start: 20439 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗