Publications | Laia Vilà-Nadal Research Group

41. Effective Storage of Electrons in Water by the Formation of Highly Reduced Polyoxometalate Clusters. J.-J. Chen, L. Vilà-Nadal, A. Solé-Daura, G. Chisholm,T. Minato, C. Busche, T. Zhao, B. Kandasamy, A. Y. Ganin, R. M. Smith, I. Colliard, J. J. Carbó, J. M. Poblet, M. Nyman, L. Cronin. J. Am. Chem. Soc. 2022,
Doi: 10.1021/jacs.1c10584

40. Looking for Options to Sustainably fixate Nitrogen, Are Molecular Metal Oxide Catalysts a Viable Avenue? R. González-Cabaleiro, J. A. Thompson, L. Vilà-Nadal.
Front. Chem., 2021, 9, 1–7 (Perspective) Doi:10.3389/fchem.2021.742565

39. Influence of the Contact Geometry and Counterions on the Current Flow and Charge Transfer in Polyoxometalate Molecular Junctions: A Density Functional Theory Study. P. Lapham, L. Vilà-Nadal, L. Cronin, V. P. Georgiev, J. Phys. Chem. C. 2021, 125, 6, 3599–3610 Doi: 10.1021/acs.jpcc.0c11038

38. POMzites a roadmap for inverse design in metal oxide chemistry. L. Vilà-Nadal, Int. J. Quantum Chem. 2021, 121, 5, e26493. (Perspective) Doi:10.1002/qua.26493

37. Coordination chemistry in polyoxometalates and metal clusters. Coordination chemistry in polyoxometalates and metal clusters. 2020, L. Vilà-Nadal, H. N. Miras. In: Constable, E., Parkin, G. and Que, L. (eds.) Comprehensive Coordination Chemistry III. Series: Chemistry molecular sciences and engineering. Academic Press: Burlington. (Book Chapter) Doi: 10.1016/B978-0-12-409547-2.14930-3

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

35. Controlling the Reactivity of the [P₈W₄₈O₁₈₄]⁴⁰⁻Inorganic Ring and Its Assembly into POMZite Inorganic Frameworks with Silver Ions. C.‐H. Zhan, Q. Zheng, D.‐L. Long, L. Vilà‐Nadal, L. Cronin,Angew. Chem. Int. Ed. 2019, 58, 17282–17286. Doi:10.1002/anie.201911170

34. Synthesis of polyoxometalate clusters using carbohydrates as reducing agents leads to isomer-selection, E. Janusson, N. de Kler, L. Vilà-Nadal, D. -L. Long, L. Cronin, Chem. Commun., 2019, 55, 5797–5800. Doi: 10.1039/C9CC02361E

33. A multi-scale simulation study for optimization and variability evaluation of molecular based flash cell, V. P. Georgiev, L. Vilà-Nadal, L. Cronin, A. Asenov IEEE 18th International Conference on Nanotechnology (IEEE-NANO), Cork, Ireland, 2018, 1–4. (Conference proceeding) Doi:10.1109/NANO.2018.8706507

32. Molecular based flash cell for low power flash application: optimization and variability evaluation, V. Georgiev, L. Vilà-Nadal, L. Cronin, A. Asenov, IEEE 12th Nanotechnology Materials and Devices Conference(NMDC 2017), Singapore, 2-4 Oct 2017, 64–65 (Conference proceeding) Doi:10.1109/NMDC.2017.8350505

31. Investigating the Formation of Giant {Pd₇₂}^Prop and {Pd₈₄}^Gly Macrocycles using NMR, HPLC and Mass Spectrometry. L. G. Christie, S. Asche, J. S. Mathieson, L. Vilà-Nadal, L. Cronin, J. Am. Chem. Soc., 2018, 140, 9379–9382. Doi: 10.1021/jacs.8b05059

ACS live slides (featuring Dr Vila-Nadal as ‘the voice’)

30. Redox Tuning the Weakley Sandwich POM Archetype for the Oxygen Evolution Reaction. Martin-Sabi M., Soriano-López J., Winter R. S., Chen J.-J., Vilà-Nadal L., Long D.-L., Galán-Mascarós J. R., Cronin L., Nat. Cat., 2018, 1, 208–213. Doi: 10.1038/s41929-018-0037-1

29. Heteroanion template controlled self-sorting and assembly of electronically active nanoscale cross-shaped polyoxometalate clusters. Zheng Q., Vilà-Nadal L., Lang Z., Chen J.-J., Long D.-L., Mathieson J. S., Poblet J. M., Cronin L., J. Am. Chem. Soc, 2018, 140, 2595–2601. Doi: 10.1021/jacs.7b11982

28. Design and synthesis of polyoxometalate-framework materials from cluster precursors. Vilà‐Nadal L., Cronin L., Nat. Rev. Mat., 2017, 2, 17054. Doi: 10.1038/natrevmats.2017.54

27. Self-assembly of molecular metal oxide nanoclusters. Vilà-Nadal L., Cronin L., in Volume 4 – Nano and Hybrid Materials, 2017, 4, 1–20. Wiley: Weinheim. ISBN 9783527325870. (Book Chapter)
Doi: 10.1002/9783527691036.hsscvol4003

26. A metamorphic inorganic framework that can be switched between eight single-crystalline states. C. Zhan, J. M. Cameron, D. Gabb, T. Boyd, R. S. Winter, L. Vilà-Nadal, S. G. Mitchell, S. Glatzel, J Breternitz, D. H. Gregory, D. –L. Long, A. Macdonnell, L. Cronin, Nat. Commun., 2017, 8, 14185. Doi: 10.1038/ncomms14185

25. Investigating the transformations of polyoxoanions using mass spectrometry and molecular dynamics. Cameron J.M., Vilà‐Nadal L., Winter R. S., Iijima F., Murillo J. C., Rodriguez-Fortea, A., Oshio H., Poblet J. M., Cronin L., J. Am. Chem. Soc., 2016, 28, 8765–8773. Doi: 10.1021/jacs.6b02245

24. Trapping the δ isomer of the polyoxometalate-based Keggin cluster with a tripodal ligand. Sartzi H., Miras H. N., Vilà‐Nadal L., Long D.-L, Cronin L., Angew. Chem. Int. Ed.,2015, 51,15708–15712.
Doi: 10.1002/ange.201505377

23. Following the reaction of heteroanions inside a {W₁₈O₅₆} polyoxometalate nanocage by NMR spectroscopy and mass spectrometry. Zheng Q., Vilà-Nadal L., Busche C., Mathieson J. S., Long D.-L., Cronin L., Angew. Chem. Int. Ed., 2015, 54, 7895–7899. Doi: 10.1002/anie.201502295

A polyoxometalate cluster [W18O56(HPIIIO3)2(H2O)2]8− with a redox‐active core has been isolated and characterized. In their Communication on page 7895 ff., L. Cronin et al. investigate the reactivity of the Dawson‐like cluster and demonstrate that it undergoes a structural rearrangement in solution, whereby the {HPO3} moieties dimerize through interphosphite interactions. In the crystalline state, the cluster exhibits a thermally triggered oxidation of the two PIII template moieties to form PV centers. — Publication highlighted with back cover

22. Comparison between bulk and FDSOI POM flash cell: a multi-scale simulation study. Georgiev V. P., Amoroso S. M., Ali T. M., Vilà-Nadal L., Busche C., Cronin L., Asenov A., IEEE Trans. Electron Dev. 2015, 62, 680–684. Doi: 10.1109/TED.2014.2378378

21. FDSOI molecular flash cell with reduced variability for low power flash applications. Georgiev V. P., Amoroso S. M., Vilà-Nadal L., Busche C., Cronin L., Asenov A.. 44th European Solid State Device Research Conference (ESSDERC), 22–26 Sept. 2014, Venice, Italy. (Conference proceeding)
Doi: 10.1109/ESSDERC.2014.6948833

20. Design and fabrication of memory devices based upon nanoscale polyoxometalate clusters. Busche C., Vilà-Nadal L., Yan J., Miras H. N., Long D.-L., Georgiev V., Asenov A., Pedersen R., Gadegaard N., Mirza M., Paul D., Poblet J.M., Cronin L., Nature, 2014, 515, 545–549. Doi: 10.1038/nature13951

19. Polyoxometalate based open-frameworks (POM-OFs). Miras H. N., Vilà-Nadal L., Cronin L., Chem. Soc. Rev., 2014, 43, 5679–5699. Doi: 10.1039/C4CS00097H

18. Optimization and evaluation of variability in the programming window of a flash cell with molecular metal-oxide storage. Georgiev V., Markov S., Vilà-Nadal L, Busche C., Cronin L., Asenov A., IEEE Trans. Electron Dev., 2014, 61, 2019–2026. Doi: 10.1109/TED.2014.2315520

17. Formation, self-assembly and transformation of a transient selenotungstate building block into clusters, chains and macrocycles. Cameron J., Gao J., Vilà-Nadal L., Long D.-L, Cronin L., Chem. Commun., 2014, 50, 2155–2157. Doi: 10.1039/C3CC49293A

16. Multi-scale computational framework for the evaluations of variability in the programing window of a flash cell with molecular storage. Georgiev V., Markov S., Vilà-Nadal L., Busche C., Cronin L., Asenov A., 43th European Solid-State Device Research Conference (ESSDERC), 16–20 September 2013, Bucharest, Romania.
Doi: 10.1109/ESSDERC.2013.6818861

15. Molecular-Metal-Oxide-nanoelectronicS (M-MOS): Achieving the Molecular Limit. Georgiev P., Markov S., Vilà-Nadal L., Asenov A., Cronin L., 16th International Workshop on Computational Electronics (IWCE), 4–7 June 2013, Nara, Japan. (Conference Proceeding)

14. Towards polyoxometalate-cluster based nano-electronics. Vilà-Nadal L., Mitchel S.G., Markov S., Busche C., Georgiev V., Aseov A., Cronin L., Chem. Eur. J., 2013, 19, 16502–16511. (Concept paper) Doi: 10.1002/chem.201301631

13. Polyoxometalate {W₁₈O₅₄XO₆} clusters with embedded redox active main group templates as localized ‘inner-sphere’ radicals. Vilà-Nadal L., Peuntinger K., Busche C., Yan J., Lüders D., Long D.-L., Poblet J.M., Guldi D. M., Cronin L., Angew. Chem. Int. Ed. 2013, 52, 9695–9699. Doi: 10.1002/anie.201303126

12. Structural and Electronic Features of Wells- Dawson Polyoxometalates. Vilà-Nadal L., Romo S., López X., Poblet J.M., in From Simplicity to Complexity in Chemistry and Beyond: Interplay Theory and Experiment, Hill, C. L.; Musaev, D. G.; Müller, A.; Eds.; NATO Science Series, Springer, 2012, 171–183. (Book Chapter)
Doi:10.1007/978-94-007-5548-2_10

11. Exploring the rotational isomerism in non–classical Wells–Dawson anions {W₁₈X}: a combined theoretical and mass spectrometry study. Vilà-Nadal L, Rodríguez-Fortea A., Mitchell S., López X., Long D.L., Poblet J.M, Cronin L. Dalton Trans., 2012, 41, 2264– 2271. (Highlighted as a Hot Article) Doi: 10.1039/C2DT11919F

10. Assembly and properties of polyoxometalates: a theoretical point of view. Vilà-Nadal L. Department/Institute: Universitat Rovira i Virgili. Departament de Química Física i Inorgànica. Date of defense: 2011-02-10. ISBN: 9788469421703 (Dissertation)
http://hdl.handle.net/10803/31933

9. Connecting theory with experiment to understand the initial nucleation steps of heteropolyoxometalate clusters. Vilà-Nadal L., Rodríguez-Fortea A., Mitchell S., Miras H.N., Cronin L., Poblet J.M., Phys. Chem. Chem. Phys., 2011, 13, 20136–20145.
Doi: 10.1039/C1CP21209E

8. Combined theoretical and mass spectrometry study of the formation-fragmentation of small polyoxomolybdates. Vilà-Nadal L., Wilson E. F., Miras H. N., Rodríguez-Fortea A., Cronin L., Poblet J.M., Inorg. Chem., 2011, 50, 7811–7819. Doi: 10.1021/ic200969h

7. Theoretical View on the Origin and Implications of Structural Distortions in Polyoxometalates. López X., Vilà-Nadal L., Aparicio X., Poblet J.M., Physics Procedia, 2010, 8, 94–103. (6th French-Spanish Workshop on the Chemistry and Physics of the Solid State Location: Tarragona, SPAIN Date: MAR 17-19, 2010. (Conference proceding) Doi: 10.1016/j.phpro.2010.10.018

6. Assembly of titanium embedded polyoxometalates with unprecedented structural feature. McGlone T., Miras H.N., Vilà-Nadal L., Long D.L., Poblet J.M, Cronin L., Dalton Trans., 2010, 39, 11599–11604.
Doi: 10.1039/C0DT01327G

5. Towards the accurate calculation of ¹⁸³W NMR NMR chemical shifts in polyoxometalates. Vilà-Nadal L., Sarasa J.P., Rodríguez-Fortea A., Igual J., Kazansky L.P., Poblet J.M., Chem. Asian J., 2010, 5, 97–104.
Doi: 10.1002/chem.201301631

4. Theoretical analysis of the possible intermediates in the formation of
[W₆O₁₉]^2-. Vilà-Nadal L., Antonio Rodríguez-Fortea A., Poblet J.M., Eur. J. Inorg. Chem., 2009, 34, 5125–5133.
Doi: 10.1002/ejic.200900714

3. Nucleation mechanisms of molecular oxides: a study of the assembly-dissassembly of [W₆O₁₉]^2-using theory and mass spectrometry. Vilà-Nadal L., Rodríguez-Fortea A., Yan L., Wilson E., Cronin L., Poblet J.M., Angew. Chem. Int. Ed., 2009, 48, 5452–5456.
Doi: 10.1002/anie.200901348

2. Hydration of hydrogentungstate anions at different pH conditions. Rodríguez-Fortea A., Vilà-Nadal L., Poblet J.M., Inorg. Chem., 2008, 47, 7745–7750.
Doi: 10.1021/ic8007766

1.Formation mechanisms of small-size polyoxometalates: A combined theoretical study using static methods and Car-Parrinello molecular dynamics. Rodríguez-Fortea A., Yan L.K, Vilà L., Poblet J. M., Abstr. Pap. Am. Chem. Soc., 19 AUG 2007, 234. The 234th ACS National Meeting, Boston, MA, August 19–23, 2007. (Conference proceeding)