Dr Alberto Roldan Martinez

Projects as PI

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Commonwealth Science Conference 2017 - Funder:Royal Society (01/06/2017 - 30/06/2017) Computational methods for particles decorated material design of prime catalytic interest - Funder:Royal Society (01/02/2016 - 31/01/2017) Computational modelling of the formation and stability of supported particles of catalytic importance - Funder:Johnson Matthey Davy Technologies Ltd, - Funder:Engineering and Physical Sciences Research Council, - Funder:UK Catalysis Hub (01/01/2016 - 02/01/2018) Understanding sintering of co-based catalyst for syngas reaction into chemicals - Funder:Royal Society (15/11/2016 - 14/11/2019)

Projects as Co-Investigator

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Computational framework for hierarchical frequency of complex chemical processes - Funder:The Leverhulme Trust (01/07/2020 - 30/06/2022) Designing durable nanomaterials for applications in catalysis, biomedicine and environmental remediation - Funder:Cardiff University (01/10/2014 - 30/09/2017) Ir-based nanoparticles and molecular complexes for catalytic hydrogen generation using chemical hydrogen storage compounds - Funder:Engineering and Physical Sciences Research Council (01/10/2015 - 29/09/2018)

Research Datasets

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Bulk, surface and catalytic properties of metal carbides: a systematic DFT study. - Quesne M, Roldan A, de Leeuw NH, et al. (2017). Cardiff University. 10.17035/d.2017.0032992916. Heterogeneous Surfaces Carbon dioxide and water co-adsorption on the low-index surfaces of TiC, VC, ZrC and NbC: A DFT study [Dataset] - Quesne M, Roldan A, de Leeuw NH, et al. (2019). Cardiff University. 10.17035/d.2019.0070602444. Heterogeneous Catalysis Green synthesis Catalytic Water Dissociation by Greigite Fe3S4 Surfaces: DFT Study - Roldan A, de Leeuw NH (2016). Cardiff University. 10.17035/d.2016.0008383220. Catalysis and surfaces Surfaces and Interfaces Catalysis and Applied Catalysis Materials Sciences Materials sciences Heterogeneous Catalysis Charge transfers of CO₂ on the {001} and {111} surfaces of magnetite (Fe₃O₄) - Santos Carballal D, Roldan A, de Leeuw NH (2017). Cardiff University. 10.17035/d.2017.0038094480. Catalyst Surface Reactivity Computational chemistry Materials Sciences CO2 and H2 Adsorption and Reaction at Nin/YSZ(111) Interfaces: a Density Functional Theory Study - Cadi-Essadek A, Roldan A, Aparicio-Anglès X, et al. (2018). Cardiff University. 10.17035/d.2018.0055070812. Surfaces and Interfaces

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Last updated on 2020-24-05 at 04:07