Dr Laia Vila-Nadal

  • Lecturer in Molecular Metal Oxide Chemistry (School of Chemistry)

telephone: 01413303454
email: Laia.Vila-Nadal@glasgow.ac.uk

Chemistry, Room A4-38, Joesph Black Building

Import to contacts

ORCID iDhttps://orcid.org/0000-0002-7718-7227

Biography

For further information, see: LVN group website 

Research interests

Research in the LVN group is now mainly a computational chemistry group that centers on understanding the self-assembly mechanisms of inorganic metal oxide materials, aiming to design new materials with diverse applications, for instance, in energy storage, molecular electronics, sensing, etc. We aim to combine theory and simulations with experimental research to discover new molecules, describe their electronic structure, and describe new properties. We are interested in using robotics and 3D-printed reactionware with inorganic systems, with the ultimate goal of being able to program the assembly of new materials with properties (e.g. water oxidation catalysis and energy storage materials). We would like to combine those novel synthetic methods with theoretical predictions of some parameters, such as IR, UV-vis, together with real-time measurements. That approach would mean achieving effective navigation through the chemical space, defined by the chemical reactants, and allow for a greater parameter control in the synthesis, and ultimately the digitalization of chemistry.

We are constantly seeking new members with a broad range of experience – please contact Dr. Vilà-Nadal by email for more information and see our website for current vacancies.

Selected publications:

Memory devices

  1. Nature, 2014, 515, 545–549. Doi: 10.1038/nature13951
  2. J. Phys. Chem. C., 2021, 125, 6, 3599–3610 Doi: 10.1021/acs.jpcc.0c11038
  3. J. Am. Chem. Soc., 2018, 140, 2595–2601. Doi: 10.1021/jacs.7b11982

Molecular metal oxides self-assembly and inverse design

  1. Int. J. Quantum Chem., 2021, 121, 5, e26493. (Perspective)  Doi:10.1002/qua.26493
  2. J. Am. Chem. Soc., 2018, 140, 9379–9382. Doi: 10.1021/jacs.8b05059
  3. Angew. Chem. Int. Ed., 2009, 48, 5452–5456. Doi: 10.1002/anie.200901348

Molecular metal oxides as porous materials

  1. Nat. Rev. Mat., 2017, 2, 17054. Doi: 10.1038/natrevmats.2017.54
  2. Angew. Chem. Int. Ed., 2019, 58, 17282–17286. Doi:10.1002/anie.201911170

Nitrogen activation and molecular metal oxides properties

  1. Front. Chem., 2021, 9, 1–7 (Perspective) Doi:10.3389/fchem.2021.742565
  2. Nat. Cat., 2018, 1, 208–213. Doi: 10.1038/s41929-018-0037-1
  3. J. Am. Chem. Soc., 2022, 144, 20, 8951–8960. Doi: 10.1021/jacs.1c10584

 

Research groups

Publications

List by: Type | Date

Jump to: 2024 | 2023 | 2022 | 2021 | 2020 | 2019 | 2018 | 2017 | 2016 | 2015 | 2014 | 2013 | 2012 | 2011 | 2010 | 2009 | 2008
Number of items: 44.

2024

Jacobs, J., Vila-Nadal, L. and Georgiev, V. (2024) Atomistic modeling of [W18O54(SeO3)2]4- polyoxometalates (POM) molecules in the presence of counter-cations. In: IEEE 24th International Conference on Nanotechnology (NANO), Gijon, Spain, 08-11 Jul 2024, pp. 141-145. ISBN 9798350386240 (doi: 10.1109/NANO61778.2024.10628858)

Thompson, J. A. and Vila-Nadal, L. (2024) Computation of 31P NMR chemical shifts in Keggin−based lacunary polyoxotungstates. Dalton Transactions, 53(2), pp. 564-571. (doi: 10.1039/D3DT02694A) (PMID:38054391)

2023

Malcolm, D. and Vilà-Nadal, L. (2023) Computational study into the effects of countercations on the [P₈W₄₈O₁₈₄]⁴⁰⁻ polyoxometalate wheel. ACS Organic and Inorganic Au, 3(5), pp. 274-282. (doi: 10.1021/acsorginorgau.3c00014)

Thompson, J. A., González-Cabaleiro, R. and Vilà-Nadal, L. (2023) Reducing systematic uncertainty in computed redox potentials for aqueous transition-metal-substituted polyoxotungstates. Inorganic Chemistry, 62(31), pp. 12260-12271. (doi: 10.1021/acs.inorgchem.3c01115) (PMID:37489885)

2022

Malcolm, D. and Vila-Nadal, L. (2022) Transition metal oxide–based storage materials. In: Ruiz Rubio, L., Vilas Vilela, J. L., Artetxe, B. and Gutiérrez-Zorrilla, J. M. (eds.) Polyoxometalates: Advances, Properties, and Applications. Jenny Stanford Publishing: Singapore, pp. 243-274. ISBN 9789814968140 (doi: 10.1201/9781003277446-6)

Chen, J.-J. et al. (2022) Effective storage of electrons in water by the formation of highly reduced polyoxometalate clusters. Journal of the American Chemical Society, 144(20), pp. 8951-8960. (doi: 10.1021/jacs.1c10584) (PMID:35536652)

2021

González-Cabaleiro, R. , Thompson, J. A. and Vilà-Nadal, L. (2021) Looking for options to sustainably fixate nitrogen. Are molecular metal oxides catalysts a viable avenue? Frontiers in Chemistry, 9, 742565. (doi: 10.3389/fchem.2021.742565)

Vilà-Nadal, L. (2021) POMzites: a roadmap for inverse design in metal oxide chemistry. International Journal of Quantum Chemistry, 121(5), e26493. (doi: 10.1002/qua.26493)

Lapham, P., Vilà-Nadal, L. , Cronin, L. and Georgiev, V. P. (2021) Influence of the contact geometry and counterions on the current flow and charge transfer in polyoxometalate molecular junctions: a density functional theory study. Journal of Physical Chemistry C, 125(6), pp. 3599-3610. (doi: 10.1021/acs.jpcc.0c11038) (PMID:33633816) (PMCID:PMC7899180)

2020

Vila-Nadal, L. and Miras, H. N. (2020) Coordination chemistry in polyoxometalates and metal clusters. In: Constable, E., Parkin, G. and Que, L. (eds.) Comprehensive Coordination Chemistry III. Series: Chemistry molecular sciences and engineering. Academic Press: Burlington. (Accepted for Publication)

2019

Zhan, C.-H., Zheng, Q., Long, D.-L. , Vilà‐Nadal, L. and Cronin, L. (2019) Controlling the reactivity of the [P8W48O184]40– inorganic ring and its assembly into POMZite inorganic frameworks with silver ions. Angewandte Chemie (International Edition), 131(48), pp. 17442-6. (doi: 10.1002/anie.201911170) (PMID:31538679) (PMCID:PMC6900112)

Janusson, E. , de Kler, N., Vilà-Nadal, L. , Long, D.-L. and Cronin, L. (2019) Synthesis of polyoxometalate clusters using carbohydrates as reducing agents leads to isomer-selection. Chemical Communications, 55(41), pp. 5797-5800. (doi: 10.1039/C9CC02361E) (PMID:31041957)

Mathew, P. T., Fang, F., Vila-Nadal, L. , Cronin, L. and Georgiev, V. (2019) First Principle Simulations of Current Flow in Inorganic Molecules: Polyoxometalates (POMs). In: 2019 Joint International EUROSOI Workshop and International Conference on Ultimate Integration on Silicon (EUROSOI-ULIS), Grenoble, France, 01-03 Apr 2019, ISBN 9781728116587 (doi: 10.1109/EUROSOI-ULIS45800.2019.9041869)

2018

Miras, H. N. , Vilà-Nadal, L. and Cronin, L. (2018) Correction: Polyoxometalate based open-frameworks (POM-OFs). Chemical Society Reviews, 47(17), p. 6890. (doi: 10.1039/c8cs90091d) (PMID:30067251)

Christie, L. G. , Asche, S., Mathieson, J. S., Vila-Nadal, L. and Cronin, L. (2018) Investigating the formation of giant {Pd72}Prop and {Pd84}Gly macrocycles using NMR, HPLC and mass spectrometry. Journal of the American Chemical Society, 140(30), pp. 9379-9382. (doi: 10.1021/jacs.8b05059) (PMID:30005574)

Georgiev, V. P. , Vila-Nadal, L. , Cronin, L. and Asenov, A. (2018) Molecular Based Flash Cell for Low Power Flash Application: Optimization and Variability Evaluation. In: IEEE 12th Nanotechnology Materials and Devices Conference (NMDC 2017), Singapore, 2-4 Oct 2017, pp. 64-65. ISBN 9781538627723 (doi: 10.1109/NMDC.2017.8350505)

Martin-Sabi, M., Soriano-López, J., Winter, R. S., Chen, J.-J., Vilà-Nadal, L. , Long, D.-L. , Galán-Mascarós, J. R. and Cronin, L. (2018) Redox tuning the Weakley-type polyoxometalate archetype for the oxygen evolution reaction. Nature Catalysis, 1(3), pp. 208-213. (doi: 10.1038/s41929-018-0037-1) (PMID:30079397) (PMCID:PMC6075698)

Zheng, Q., Vilà-Nadal, L. , Lang, Z., Chen, J.-j., Long, D.-L. , Mathieson, J. S., Poblet, J. M. and Cronin, L. (2018) Self-sorting of heteroanions in the assembly of cross-shaped polyoxometalate clusters. Journal of the American Chemical Society, 140(7), pp. 2595-2601. (doi: 10.1021/jacs.7b11982) (PMID:29359931) (PMCID:PMC6075695)

2017

Vilà-Nadal, L. and Cronin, L. (2017) Design and synthesis of polyoxometalate-framework materials from cluster precursors. Nature Reviews Materials, 2, 17054. (doi: 10.1038/natrevmats.2017.54)

Vila-Nadal, L. and Cronin, L. (2017) Self-assembly of molecular metal oxide nanoclusters. In: Dronskowski, R., Kikkawa, S. and Stein, A. (eds.) Handbook of Solid State Chemistry. Wiley: Weinheim. ISBN 9783527325870 (doi: 10.1002/9783527691036.hsscvol4003)

Zhan, C. et al. (2017) A metamorphic inorganic framework that can be switched between eight single-crystalline states. Nature Communications, 8, 14185. (doi: 10.1038/ncomms14185) (PMID:28194009) (PMCID:PMC5316803)

2016

Cameron, J. M., Vilà-Nadal, L. , Winter, R. S., Iijima, F., Murillo, J. C., Rodríguez-Fortea, A., Oshio, H., Poblet, J. M. and Cronin, L. (2016) Investigating the transformations of polyoxoanions using mass spectrometry and molecular dynamics. Journal of the American Chemical Society, 138(28), pp. 8765-8773. (doi: 10.1021/jacs.6b02245) (PMID:27321042)

2015

Sartzi, H., Miras, H. N. , Vila-Nadal, L. , Long, D. L. and Cronin, L. (2015) Trapping the δ isomer of the polyoxometalate-based Keggin cluster with a tripodal ligand. Angewandte Chemie (International Edition), 54(51), pp. 15488-15492. (doi: 10.1002/anie.201505377) (PMID:26511859)

Zheng, Q., Vila-Nadal, L. , Busche, C. , Mathieson, J. S., Long, D.-L. and Cronin, L. (2015) Following the reaction of heteroanions inside a {W18O56} polyoxometalate nanocage by NMR spectroscopy and mass spectrometry. Angewandte Chemie (International Edition), 127(27), pp. 8006-8010. (doi: 10.1002/ange.201502295)

Georgiev, V. P. , Amoroso, S. M., Ali, T. M., Vila-Nadal, L. , Busche, C. , Cronin, L. and Asenov, A. (2015) Comparison between bulk and FDSOI POM flash cell: a multiscale simulation study. IEEE Transactions on Electron Devices, 62(2), pp. 680-684. (doi: 10.1109/TED.2014.2378378)

2014

Busche, C. et al. (2014) Design and fabrication of memory devices based on nanoscale polyoxometalate clusters. Nature, 515(7528), pp. 545-549. (doi: 10.1038/nature13951) (PMID:25409147)

Miras, H. N. , Vilà-Nadal, L. and Cronin, L. (2014) Polyoxometalate based open-frameworks (POM-OFs). Chemical Society Reviews, 43(16), pp. 5679-5699. (doi: 10.1039/c4cs00097h) (PMID:25005364)

Georgiev, V. P. , Markov, S., Vila-Nadal, L. , Busche, C. , Cronin, L. and Asenov, A. (2014) Optimization and evaluation of variability in the programming window of a flash cell with molecular metal-oxide storage. IEEE Transactions on Electron Devices, 61(6), pp. 2019-2026. (doi: 10.1109/TED.2014.2315520)

Cameron, J. M., Gao, J., Vila-Nadal, L. , Long, D.-L. and Cronin, L. (2014) Formation, self-assembly and transformation of a transient selenotungstate building block into clusters, chains and macrocycles. Chemical Communications, 50(17), pp. 2155-2157. (doi: 10.1039/C3CC49293A)

Georgiev, V. P. , Amoroso, S. M., Vila-Nadal, L. , Busche, C. , Cronin, L. and Asenov, A. (2014) FDSOI Molecular Flash Cell with Reduced Variability for Low Power Flash Applications. In: 44th European Solid-State Device Research Conference (ESSDERC), Venice, Italy, 22-26 Sep 2014, pp. 353-356. ISBN 9781479943760 (doi: 10.1109/ESSDERC.2014.6948833)

2013

Vilà-Nadal, L. , Mitchell, S. G., Markov, S., Busche, C. , Georgiev, V. , Asenov, A. and Cronin, L. (2013) Towards polyoxometalate-cluster-based nano-electronics. Chemistry: A European Journal, 19(49), pp. 16502-16511. (doi: 10.1002/chem.201301631)

Vilà-Nadal, L. , Peuntinger, K., Busche, C. , Yan, J., Lüders, D., Long, D. , Poblet, J.M., Guldi, D.M. and Cronin, L. (2013) Polyoxometalate {W18O56XO6} clusters with embedded redox-active main-group templates as localized inner-cluster radicals. Angewandte Chemie (International Edition), 52(37), pp. 9695-9699. (doi: 10.1002/anie.201303126)

Georgiev, V. P. , Markov, S., Vilà-Nadal, L. , Asenov, A. and Cronin, L. (2013) Molecular-Metal-Oxide-nanoelectronicS (M-MOS): Achieving the Molecular Limit. In: 16th International Workshop on Computational Electronics, Nara, Japan, 4-7 June 2013, ISBN 9783901578267

Georgiev, V. P. , Markov, S., Vila-Nadal, L. , Busche, C., Cronin, L. and Asenov, A. (2013) Multi-scale computational framework for the evaluation of variability in the programing window of a flash cell with molecular storage. In: 2013 Proceedings of the European Solid-State Device Research Conference (ESSDERC), Bucharest, Romania, 16-20 Sep 2013, pp. 230-233. (doi: 10.1109/ESSDERC.2013.6818861)

2012

Vilà-Nadal, L. , Romo, S., López, X. and Poblet, J. M. (2012) Structural and electronic features of Wells-Dawson polyoxometalates. In: Hill, C. and Musaev, D. G. (eds.) Complexity in Chemistry and Beyond: Interplay Theory and Experiment. Series: NATO Science for Peace and Security Series B: Physics and Biophysics. Springer Netherlands: Dordrecht, pp. 171-183. ISBN 9789400755475 (doi: 10.1007/978-94-007-5548-2_10)

Vilá-Nadal, L. , Mitchell, S.G., Long, D.L. , Rodríguez-Fortea, A., López, X., Poblet, J.M. and Cronin, L. (2012) Exploring the rotational isomerism in non-classical Wells–Dawson anions {W18X}:: a combined theoretical and mass spectrometry study. Dalton Transactions, 41(8), pp. 2264-2271. (doi: 10.1039/c2dt11919f)

2011

Vila-Nadal, L. , Wilson, E.F., Miras, H.N. , Rodriguez-Fortea, A., Cronin, L. and Poblet, J.M. (2011) Combined theoretical and mass spectrometry study of the formation-fragmentation of small polyoxomolybdates. Inorganic Chemistry, 50(16), pp. 7811-7819. (doi: 10.1021/ic200969h)

Vilà-Nadal, L. , Mitchell, S.G., Rodríguez-Fortea, A., Miras, H.N. , Cronin, L. and Poblet, J.M. (2011) Connecting theory with experiment to understand the initial nucleation steps of heteropolyoxometalate clusters. Physical Chemistry Chemical Physics, 13(45), pp. 20136-20145. (doi: 10.1039/c1cp21209e)

2010

Vilà-Nadal, L. , Sarasa, J. P., Rodríguez-Fortea, A., Igual, J., Kazansky, L. P. and Poblet, J. M. (2010) Towards the accurate calculation of 183W NMR chemical shifts in polyoxometalates: the relevance of the structure. Chemistry: An Asian Journal, 5(1), pp. 97-104. (doi: 10.1002/asia.200900263)

López, X., Vilà-Nadal, L. , Aparicio-Anglès, X. and Poblet, J. M. (2010) Theoretical view on the origin and implications of structural distortions in polyoxometalates. Physics Procedia, 8, pp. 94-103. (doi: 10.1016/j.phpro.2010.10.018)

McGlone, T., Vilà-Nadal, L. , Miras, H.N. , Long, D.L. , Poblet, J.M. and Cronin, L. (2010) Assembly of titanium embedded polyoxometalates with unprecedented structural features. Dalton Transactions, 39(48), pp. 11599-11604. (doi: 10.1039/c0dt01327g)

2009

Vilà-Nadal, L. , Rodríguez-Fortea, A. and Poblet, J. M. (2009) Theoretical analysis of the possible intermediates in the formation of [W6O19]2–. European Journal of Inorganic Chemistry, 2009(34), pp. 5125-5133. (doi: 10.1002/ejic.200900714)

Vilá-Nadal, L. , Rodriguez-Fortea, A., Yan, L.K., Wilson, E.F., Cronin, L. and Poblet, J.M. (2009) Nucleation mechanisms of molecular oxides: a study of the assembly-dissassembly of [W6O19]2- by theory and mass spectrometry. Angewandte Chemie (International Edition), 48(30), pp. 5452-5456. (doi: 10.1002/anie.200901348)

2008

Rodríguez-Fortea, A., Vilà-Nadal, L. and Poblet, J. M. (2008) Hydration of hydrogentungstate anions at different pH conditions: a Car−Parrinello molecular dynamics study. Inorganic Chemistry, 47(17), pp. 7745-7750. (doi: 10.1021/ic8007766)

This list was generated on Thu Nov 21 03:42:49 2024 GMT.
Jump to: Articles | Book Sections | Conference Proceedings
Number of items: 44.

Articles

Thompson, J. A. and Vila-Nadal, L. (2024) Computation of 31P NMR chemical shifts in Keggin−based lacunary polyoxotungstates. Dalton Transactions, 53(2), pp. 564-571. (doi: 10.1039/D3DT02694A) (PMID:38054391)

Malcolm, D. and Vilà-Nadal, L. (2023) Computational study into the effects of countercations on the [P₈W₄₈O₁₈₄]⁴⁰⁻ polyoxometalate wheel. ACS Organic and Inorganic Au, 3(5), pp. 274-282. (doi: 10.1021/acsorginorgau.3c00014)

Thompson, J. A., González-Cabaleiro, R. and Vilà-Nadal, L. (2023) Reducing systematic uncertainty in computed redox potentials for aqueous transition-metal-substituted polyoxotungstates. Inorganic Chemistry, 62(31), pp. 12260-12271. (doi: 10.1021/acs.inorgchem.3c01115) (PMID:37489885)

Chen, J.-J. et al. (2022) Effective storage of electrons in water by the formation of highly reduced polyoxometalate clusters. Journal of the American Chemical Society, 144(20), pp. 8951-8960. (doi: 10.1021/jacs.1c10584) (PMID:35536652)

González-Cabaleiro, R. , Thompson, J. A. and Vilà-Nadal, L. (2021) Looking for options to sustainably fixate nitrogen. Are molecular metal oxides catalysts a viable avenue? Frontiers in Chemistry, 9, 742565. (doi: 10.3389/fchem.2021.742565)

Vilà-Nadal, L. (2021) POMzites: a roadmap for inverse design in metal oxide chemistry. International Journal of Quantum Chemistry, 121(5), e26493. (doi: 10.1002/qua.26493)

Lapham, P., Vilà-Nadal, L. , Cronin, L. and Georgiev, V. P. (2021) Influence of the contact geometry and counterions on the current flow and charge transfer in polyoxometalate molecular junctions: a density functional theory study. Journal of Physical Chemistry C, 125(6), pp. 3599-3610. (doi: 10.1021/acs.jpcc.0c11038) (PMID:33633816) (PMCID:PMC7899180)

Zhan, C.-H., Zheng, Q., Long, D.-L. , Vilà‐Nadal, L. and Cronin, L. (2019) Controlling the reactivity of the [P8W48O184]40– inorganic ring and its assembly into POMZite inorganic frameworks with silver ions. Angewandte Chemie (International Edition), 131(48), pp. 17442-6. (doi: 10.1002/anie.201911170) (PMID:31538679) (PMCID:PMC6900112)

Janusson, E. , de Kler, N., Vilà-Nadal, L. , Long, D.-L. and Cronin, L. (2019) Synthesis of polyoxometalate clusters using carbohydrates as reducing agents leads to isomer-selection. Chemical Communications, 55(41), pp. 5797-5800. (doi: 10.1039/C9CC02361E) (PMID:31041957)

Miras, H. N. , Vilà-Nadal, L. and Cronin, L. (2018) Correction: Polyoxometalate based open-frameworks (POM-OFs). Chemical Society Reviews, 47(17), p. 6890. (doi: 10.1039/c8cs90091d) (PMID:30067251)

Christie, L. G. , Asche, S., Mathieson, J. S., Vila-Nadal, L. and Cronin, L. (2018) Investigating the formation of giant {Pd72}Prop and {Pd84}Gly macrocycles using NMR, HPLC and mass spectrometry. Journal of the American Chemical Society, 140(30), pp. 9379-9382. (doi: 10.1021/jacs.8b05059) (PMID:30005574)

Martin-Sabi, M., Soriano-López, J., Winter, R. S., Chen, J.-J., Vilà-Nadal, L. , Long, D.-L. , Galán-Mascarós, J. R. and Cronin, L. (2018) Redox tuning the Weakley-type polyoxometalate archetype for the oxygen evolution reaction. Nature Catalysis, 1(3), pp. 208-213. (doi: 10.1038/s41929-018-0037-1) (PMID:30079397) (PMCID:PMC6075698)

Zheng, Q., Vilà-Nadal, L. , Lang, Z., Chen, J.-j., Long, D.-L. , Mathieson, J. S., Poblet, J. M. and Cronin, L. (2018) Self-sorting of heteroanions in the assembly of cross-shaped polyoxometalate clusters. Journal of the American Chemical Society, 140(7), pp. 2595-2601. (doi: 10.1021/jacs.7b11982) (PMID:29359931) (PMCID:PMC6075695)

Vilà-Nadal, L. and Cronin, L. (2017) Design and synthesis of polyoxometalate-framework materials from cluster precursors. Nature Reviews Materials, 2, 17054. (doi: 10.1038/natrevmats.2017.54)

Zhan, C. et al. (2017) A metamorphic inorganic framework that can be switched between eight single-crystalline states. Nature Communications, 8, 14185. (doi: 10.1038/ncomms14185) (PMID:28194009) (PMCID:PMC5316803)

Cameron, J. M., Vilà-Nadal, L. , Winter, R. S., Iijima, F., Murillo, J. C., Rodríguez-Fortea, A., Oshio, H., Poblet, J. M. and Cronin, L. (2016) Investigating the transformations of polyoxoanions using mass spectrometry and molecular dynamics. Journal of the American Chemical Society, 138(28), pp. 8765-8773. (doi: 10.1021/jacs.6b02245) (PMID:27321042)

Sartzi, H., Miras, H. N. , Vila-Nadal, L. , Long, D. L. and Cronin, L. (2015) Trapping the δ isomer of the polyoxometalate-based Keggin cluster with a tripodal ligand. Angewandte Chemie (International Edition), 54(51), pp. 15488-15492. (doi: 10.1002/anie.201505377) (PMID:26511859)

Zheng, Q., Vila-Nadal, L. , Busche, C. , Mathieson, J. S., Long, D.-L. and Cronin, L. (2015) Following the reaction of heteroanions inside a {W18O56} polyoxometalate nanocage by NMR spectroscopy and mass spectrometry. Angewandte Chemie (International Edition), 127(27), pp. 8006-8010. (doi: 10.1002/ange.201502295)

Georgiev, V. P. , Amoroso, S. M., Ali, T. M., Vila-Nadal, L. , Busche, C. , Cronin, L. and Asenov, A. (2015) Comparison between bulk and FDSOI POM flash cell: a multiscale simulation study. IEEE Transactions on Electron Devices, 62(2), pp. 680-684. (doi: 10.1109/TED.2014.2378378)

Busche, C. et al. (2014) Design and fabrication of memory devices based on nanoscale polyoxometalate clusters. Nature, 515(7528), pp. 545-549. (doi: 10.1038/nature13951) (PMID:25409147)

Miras, H. N. , Vilà-Nadal, L. and Cronin, L. (2014) Polyoxometalate based open-frameworks (POM-OFs). Chemical Society Reviews, 43(16), pp. 5679-5699. (doi: 10.1039/c4cs00097h) (PMID:25005364)

Georgiev, V. P. , Markov, S., Vila-Nadal, L. , Busche, C. , Cronin, L. and Asenov, A. (2014) Optimization and evaluation of variability in the programming window of a flash cell with molecular metal-oxide storage. IEEE Transactions on Electron Devices, 61(6), pp. 2019-2026. (doi: 10.1109/TED.2014.2315520)

Cameron, J. M., Gao, J., Vila-Nadal, L. , Long, D.-L. and Cronin, L. (2014) Formation, self-assembly and transformation of a transient selenotungstate building block into clusters, chains and macrocycles. Chemical Communications, 50(17), pp. 2155-2157. (doi: 10.1039/C3CC49293A)

Vilà-Nadal, L. , Mitchell, S. G., Markov, S., Busche, C. , Georgiev, V. , Asenov, A. and Cronin, L. (2013) Towards polyoxometalate-cluster-based nano-electronics. Chemistry: A European Journal, 19(49), pp. 16502-16511. (doi: 10.1002/chem.201301631)

Vilà-Nadal, L. , Peuntinger, K., Busche, C. , Yan, J., Lüders, D., Long, D. , Poblet, J.M., Guldi, D.M. and Cronin, L. (2013) Polyoxometalate {W18O56XO6} clusters with embedded redox-active main-group templates as localized inner-cluster radicals. Angewandte Chemie (International Edition), 52(37), pp. 9695-9699. (doi: 10.1002/anie.201303126)

Vilá-Nadal, L. , Mitchell, S.G., Long, D.L. , Rodríguez-Fortea, A., López, X., Poblet, J.M. and Cronin, L. (2012) Exploring the rotational isomerism in non-classical Wells–Dawson anions {W18X}:: a combined theoretical and mass spectrometry study. Dalton Transactions, 41(8), pp. 2264-2271. (doi: 10.1039/c2dt11919f)

Vila-Nadal, L. , Wilson, E.F., Miras, H.N. , Rodriguez-Fortea, A., Cronin, L. and Poblet, J.M. (2011) Combined theoretical and mass spectrometry study of the formation-fragmentation of small polyoxomolybdates. Inorganic Chemistry, 50(16), pp. 7811-7819. (doi: 10.1021/ic200969h)

Vilà-Nadal, L. , Mitchell, S.G., Rodríguez-Fortea, A., Miras, H.N. , Cronin, L. and Poblet, J.M. (2011) Connecting theory with experiment to understand the initial nucleation steps of heteropolyoxometalate clusters. Physical Chemistry Chemical Physics, 13(45), pp. 20136-20145. (doi: 10.1039/c1cp21209e)

Vilà-Nadal, L. , Sarasa, J. P., Rodríguez-Fortea, A., Igual, J., Kazansky, L. P. and Poblet, J. M. (2010) Towards the accurate calculation of 183W NMR chemical shifts in polyoxometalates: the relevance of the structure. Chemistry: An Asian Journal, 5(1), pp. 97-104. (doi: 10.1002/asia.200900263)

López, X., Vilà-Nadal, L. , Aparicio-Anglès, X. and Poblet, J. M. (2010) Theoretical view on the origin and implications of structural distortions in polyoxometalates. Physics Procedia, 8, pp. 94-103. (doi: 10.1016/j.phpro.2010.10.018)

McGlone, T., Vilà-Nadal, L. , Miras, H.N. , Long, D.L. , Poblet, J.M. and Cronin, L. (2010) Assembly of titanium embedded polyoxometalates with unprecedented structural features. Dalton Transactions, 39(48), pp. 11599-11604. (doi: 10.1039/c0dt01327g)

Vilà-Nadal, L. , Rodríguez-Fortea, A. and Poblet, J. M. (2009) Theoretical analysis of the possible intermediates in the formation of [W6O19]2–. European Journal of Inorganic Chemistry, 2009(34), pp. 5125-5133. (doi: 10.1002/ejic.200900714)

Vilá-Nadal, L. , Rodriguez-Fortea, A., Yan, L.K., Wilson, E.F., Cronin, L. and Poblet, J.M. (2009) Nucleation mechanisms of molecular oxides: a study of the assembly-dissassembly of [W6O19]2- by theory and mass spectrometry. Angewandte Chemie (International Edition), 48(30), pp. 5452-5456. (doi: 10.1002/anie.200901348)

Rodríguez-Fortea, A., Vilà-Nadal, L. and Poblet, J. M. (2008) Hydration of hydrogentungstate anions at different pH conditions: a Car−Parrinello molecular dynamics study. Inorganic Chemistry, 47(17), pp. 7745-7750. (doi: 10.1021/ic8007766)

Book Sections

Malcolm, D. and Vila-Nadal, L. (2022) Transition metal oxide–based storage materials. In: Ruiz Rubio, L., Vilas Vilela, J. L., Artetxe, B. and Gutiérrez-Zorrilla, J. M. (eds.) Polyoxometalates: Advances, Properties, and Applications. Jenny Stanford Publishing: Singapore, pp. 243-274. ISBN 9789814968140 (doi: 10.1201/9781003277446-6)

Vila-Nadal, L. and Miras, H. N. (2020) Coordination chemistry in polyoxometalates and metal clusters. In: Constable, E., Parkin, G. and Que, L. (eds.) Comprehensive Coordination Chemistry III. Series: Chemistry molecular sciences and engineering. Academic Press: Burlington. (Accepted for Publication)

Vila-Nadal, L. and Cronin, L. (2017) Self-assembly of molecular metal oxide nanoclusters. In: Dronskowski, R., Kikkawa, S. and Stein, A. (eds.) Handbook of Solid State Chemistry. Wiley: Weinheim. ISBN 9783527325870 (doi: 10.1002/9783527691036.hsscvol4003)

Vilà-Nadal, L. , Romo, S., López, X. and Poblet, J. M. (2012) Structural and electronic features of Wells-Dawson polyoxometalates. In: Hill, C. and Musaev, D. G. (eds.) Complexity in Chemistry and Beyond: Interplay Theory and Experiment. Series: NATO Science for Peace and Security Series B: Physics and Biophysics. Springer Netherlands: Dordrecht, pp. 171-183. ISBN 9789400755475 (doi: 10.1007/978-94-007-5548-2_10)

Conference Proceedings

Jacobs, J., Vila-Nadal, L. and Georgiev, V. (2024) Atomistic modeling of [W18O54(SeO3)2]4- polyoxometalates (POM) molecules in the presence of counter-cations. In: IEEE 24th International Conference on Nanotechnology (NANO), Gijon, Spain, 08-11 Jul 2024, pp. 141-145. ISBN 9798350386240 (doi: 10.1109/NANO61778.2024.10628858)

Mathew, P. T., Fang, F., Vila-Nadal, L. , Cronin, L. and Georgiev, V. (2019) First Principle Simulations of Current Flow in Inorganic Molecules: Polyoxometalates (POMs). In: 2019 Joint International EUROSOI Workshop and International Conference on Ultimate Integration on Silicon (EUROSOI-ULIS), Grenoble, France, 01-03 Apr 2019, ISBN 9781728116587 (doi: 10.1109/EUROSOI-ULIS45800.2019.9041869)

Georgiev, V. P. , Vila-Nadal, L. , Cronin, L. and Asenov, A. (2018) Molecular Based Flash Cell for Low Power Flash Application: Optimization and Variability Evaluation. In: IEEE 12th Nanotechnology Materials and Devices Conference (NMDC 2017), Singapore, 2-4 Oct 2017, pp. 64-65. ISBN 9781538627723 (doi: 10.1109/NMDC.2017.8350505)

Georgiev, V. P. , Amoroso, S. M., Vila-Nadal, L. , Busche, C. , Cronin, L. and Asenov, A. (2014) FDSOI Molecular Flash Cell with Reduced Variability for Low Power Flash Applications. In: 44th European Solid-State Device Research Conference (ESSDERC), Venice, Italy, 22-26 Sep 2014, pp. 353-356. ISBN 9781479943760 (doi: 10.1109/ESSDERC.2014.6948833)

Georgiev, V. P. , Markov, S., Vilà-Nadal, L. , Asenov, A. and Cronin, L. (2013) Molecular-Metal-Oxide-nanoelectronicS (M-MOS): Achieving the Molecular Limit. In: 16th International Workshop on Computational Electronics, Nara, Japan, 4-7 June 2013, ISBN 9783901578267

Georgiev, V. P. , Markov, S., Vila-Nadal, L. , Busche, C., Cronin, L. and Asenov, A. (2013) Multi-scale computational framework for the evaluation of variability in the programing window of a flash cell with molecular storage. In: 2013 Proceedings of the European Solid-State Device Research Conference (ESSDERC), Bucharest, Romania, 16-20 Sep 2013, pp. 230-233. (doi: 10.1109/ESSDERC.2013.6818861)

This list was generated on Thu Nov 21 03:42:49 2024 GMT.

Grants

Current funding:

Probing the States of Single Molecules for Sensing and Multi-value Memory Applications EPSRC – EP/V048341/1; 10/2021 – 09/2025. Co-I with Prof Douglas Paul (PI),  Prof Lee Cronin (Co-I), Prof A. Asenov (Co-I), and Dr Vihar Georgiev (Co-I) - Award: £1.6 M

Past funding: 

  • EPSRC vacation Internship: Powering UP: screening for active Zr raw material Dr. Vilà-Nadal (PI) - Award: £4 k
  • ECR Capital Award (UR3 and Shadow Modular Grasper), UofG- EPSRC -2019. Co-I with Dr Gerardo Aragon-Camarasa (PI) - Award: £45k
  • CHEMIFY: A System to Produce Universal Digital Chemical Synthesis EPSRC – EP/S030603/1; 09/2019 – 08/2022. Co-I with Prof Lee Cronin (PI), Dr Phil Kitson (Co-I), and Dr Geoff Cooper (Co-I) - Award: £1.1 M
  • Integrated Discovery Chemputer Toward Addiction Free Opiates. US National Institutes of Health (NIH), National Center for Advancing Translational Sciences (NCATS) ASPIRE Challenge 5. Part of the team with Prof Lee Cronin (PI). Award: $0.5M NIH
  • UofG Reinvigorating Research Call, 01/2022 – 06/2022  Dr. Vilà-Nadal (PI) - Award: £31 k
  • CoSE Rewards for Excellence, 2021, ECDP program Dr. Vilà-Nadal (PI) - Award: £6.5 k
  • ScotCHEM ECR equipment funding call 2022, link Dr. Vilà-Nadal (PI) - Award: £10 k
  • Metal Oxides by Design. link EPSRC DTP funding received for Daniel Malcolm PhD Scolarship. 
  • Nitrogen fixation with metal oxides. link EPSRC DTP funding received for Jake Thompson PhD Scolarship. 

 

Supervision

Postdoctoral Research Associate (PDRA):

  • Daniel Malcolm.  July 2024 - to date. (LinkedIn).  

PhD students Main Supervisor 

  • Michael Nicolaou. Since September 2022- to date. (LinkedIn) together with Dr Emma Gibson (UofGla). Topic: Obtaing high value chemicals from lignocellulosic biomass. EPSRC DTP funded scholarship (link). 

MSci and BSc Project Students 

  • Stacey McLellan. Since September 2024 - to date. (LinkedIn) Colorimetric Detection of Zirconium: A Combined Experimental and Computational Approach

EPSRC Vacation Intern

  • Since June 2024 

PhD students Second supervisor/Pastoral support (5% supevisory role)

  • Vishal Lakhanpal. Principal Supervisor: Lee Cronin
  • Ziao Xu. Principal Supervisor: Emily Draper
  • Amit Kahana. Principal Supervisor: Lee Cronin
  • Jishnu Gangardharan. Principal Supervisor: Mark Murrie
  • Connor MacDonald. Principal Supervisor: Emily Draper

Alumni: 

 

PhD Thesis directed as principal supervisor

  1. Thompson, Jake A. (2024) Using theoretical chemistry to model the redox properties of polyoxometalates and their potential as ammonia synthesis catalysts. PhD thesis, University of Glasgow.

  2. Malcolm, Daniel (2024) Improving accuracy of polyoxometalate computational models. PhD thesis, University of Glasgow.

Summer Projects 
  1. 2024 EPRSC Vacation Bursary Project: 8-10 weeks summer project. Supervisor. Dr Laia Nadal. Powering UP: screening for active Zr raw material

  2. 2017 EPRSC Vacation Bursary Project: 8-10 weeks summer project. Supervisors. Dr Laia Nadal and Dr Vihar Georgiev.  Molecular Nano-Clusters with Embedded Spins as QBITs for Quantum Computing. The scheme supports undergraduate students to gain practical first-hand experience of research and encourages them to consider a research career. 

  3. 2016 EPRSC Vacation Bursary Project: 8-10 weeks summer project. Supervisors. Dr Laia Nadal and Dr Vihar Georgiev.  Molecular Nano-Clusters with Embedded Spins as QBITs for Quantum Computing. The scheme supports undergraduate students to gain practical first-hand experience of research and encourages them to consider a research career. 

Teaching

Accolades:

  • 2022 Nominated for a Student Teaching Award, in the category of Best College Teacher in the College of Science and Engineering
  • 2021 Completed 60 credits on PGCAP and recognition as a UofG RET Fellow (Recognising Excellence in Teaching). 

Academic Year 2024-25

Teaching:

  • LEVEL 1: Chemistry lectures in the SCIENCE FUNDAMENTALS-1X CHEM1002  - 6 (x2) Lecture series 
  • LEVEL 2: Inorganic Tutorials 
  • LEVEL 3:
    • Main Group Chemistry (I2) - 8 Lecture series 
    • Inorganic Tutorials CHEM3
  • Academic demonstrator in Synthesis Labs (Levels 1-3)

Executive and Administrative Roles:

  • LEVEL 3: 
    • Inorganic Chemistry Lab Head
    • Inorganic Paper setter
  • LEVEL 2: Deputy Class Head 
  • LEVEL 5: Essay co-ordinator for the PGTs in the S5 Frontiers component of the Frontiers for the CHEM 3M cohort Frontiers of Chemistry
  • Advisor of Studies 

 

Additional information

Esteem, External Apointments, and Positions:

 

 

 

 


Laia Vila Nadal square photo