Search Results - "Nadal, Laia"

Influence of the Contact Geometry and Counterions on the Current Flow and Charge Transfer in Polyoxometalate Molecular Junctions: A Density Functional Theory Study by Lapham, Paul, Vilà-Nadal, Laia, Cronin, Leroy, Georgiev, Vihar P

“…Polyoxometalates (POMs) are promising candidates for molecular electronic applications because (1) they are inorganic molecules, which have better CMOS…”
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Design and synthesis of polyoxometalate-framework materials from cluster precursors by Vilà-Nadal, Laia, Cronin, Leroy

“…Inorganic oxide materials are used in semiconductor electronics, ion exchange, catalysis, coatings, gas sensors and as separation materials. Although their…”
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Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters by Zheng, Qi, Vilà-Nadal, Laia, Lang, Zhongling, Chen, Jia-Jia, Long, De-Liang, Mathieson, Jennifer S, Poblet, Josep M, Cronin, Leroy

“…Heteroanion (HA) moieties have a key role in templating of heteropolyoxometalate (HPA) architectures, but clusters templated by two different templates are…”
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POMzites: A roadmap for inverse design in metal oxide chemistry by Vilà‐Nadal, Laia

“…Computationally exploring the space generated by the self‐assembly of known molecular metal oxides and the ability to predict new architectures is a…”
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Reducing Systematic Uncertainty in Computed Redox Potentials for Aqueous Transition-Metal-Substituted Polyoxotungstates by Thompson, Jake A., González-Cabaleiro, Rebeca, Vilà-Nadal, Laia

“…Polyoxometalates have attracted significant interest owing to their structural diversity, redox stability, and functionality at the nanoscale. In this work,…”
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Effective Storage of Electrons in Water by the Formation of Highly Reduced Polyoxometalate Clusters by Chen, Jia-Jia, Vilà-Nadal, Laia, Solé-Daura, Albert, Chisholm, Greig, Minato, Takuo, Busche, Christoph, Zhao, Tingting, Kandasamy, Balamurugan, Ganin, Alexey Y., Smith, Rachelle M., Colliard, Ian, Carbó, Jorge J., Poblet, Josep M., Nyman, May, Cronin, Leroy

“…Aqueous solutions of polyoxometalates (POMs) have been shown to have potential as high-capacity energy storage materials due to their potential for…”
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Design and fabrication of memory devices based on nanoscale polyoxometalate clusters by Busche, Christoph, Vilà-Nadal, Laia, Yan, Jun, Miras, Haralampos N., Long, De-Liang, Georgiev, Vihar P., Asenov, Asen, Pedersen, Rasmus H., Gadegaard, Nikolaj, Mirza, Muhammad M., Paul, Douglas J., Poblet, Josep M., Cronin, Leroy

“…Flash memories are essential for modern electronics; here a selenium-templated polyoxometalate is used to engineer new metal–oxide–semiconductor devices. Flash…”
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Computational Study into the Effects of Countercations on the [P8W48O184]40– Polyoxometalate Wheel by Malcolm, Daniel, Vilà-Nadal, Laia

“…Porous metal oxide materials have been obtained from a ring-shaped macrocyclic polyoxometalate (POM) structural building unit, [P8W48O184]40–. This is a…”
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Towards Polyoxometalate-Cluster-Based Nano-Electronics by Vilà-Nadal, Laia, Mitchell, Scott G., Markov, Stanislav, Busche, Christoph, Georgiev, Vihar, Asenov, Asen, Cronin, Leroy

“…We explore the concept that the incorporation of polyoxometalates (POMs) into complementary metal oxide semiconductor (CMOS) technologies could offer a…”
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Investigating the Transformations of Polyoxoanions Using Mass Spectrometry and Molecular Dynamics by Cameron, Jamie M, Vilà-Nadal, Laia, Winter, Ross S, Iijima, Fumichika, Murillo, Juan Carlos, Rodríguez-Fortea, Antonio, Oshio, Hiroki, Poblet, Josep M, Cronin, Leroy

“…The reactions of [γ-SiW10O36]8– represent one of the most important synthetic gateways into a vast array of polyoxotungstate chemistry. Herein, we set about…”
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Trapping the δ Isomer of the Polyoxometalate-Based Keggin Cluster with a Tripodal Ligand by Sartzi, Harikleia, Miras, Haralampos N., Vilà-Nadal, Laia, Long, De-Liang, Cronin, Leroy

“…We report the synthesis, structural, and electronic characterization of the theoretically predicted, but experimentally elusive δ‐isomer of the Keggin…”
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Controlling the Reactivity of the [P8W48O184]40− Inorganic Ring and Its Assembly into POMZite Inorganic Frameworks with Silver Ions by Zhan, Cai‐Hong, Zheng, Qi, Long, De‐Liang, Vilà‐Nadal, Laia, Cronin, Leroy

“…The construction of pure‐inorganic framework materials with well‐defined design rules and building blocks is challenging. In this work, we show how a…”
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Following the Reaction of Heteroanions inside a {W18O56} Polyoxometalate Nanocage by NMR Spectroscopy and Mass Spectrometry by Zheng, Qi, Vilà-Nadal, Laia, Busche, Christoph, Mathieson, Jennifer S., Long, De-Liang, Cronin, Leroy

“…By incorporating phosphorus(III)‐based anions into a polyoxometalate cage, a new type of tungsten‐based unconventional Dawson‐like cluster,…”
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A metamorphic inorganic framework that can be switched between eight single-crystalline states by Zhan, Caihong, Cameron, Jamie M., Gabb, David, Boyd, Thomas, Winter, Ross S., Vilà-Nadal, Laia, Mitchell, Scott G., Glatzel, Stefan, Breternitz, Joachim, Gregory, Duncan H., Long, De-Liang, Macdonell, Andrew, Cronin, Leroy

“…The design of highly flexible framework materials requires organic linkers, whereas inorganic materials are more robust but inflexible. Here, by using linkable…”
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Redox tuning the Weakley-type polyoxometalate archetype for the oxygen evolution reaction by Martin-Sabi, Mercè, Soriano-López, Joaquín, Winter, Ross S., Chen, Jia-Jia, Vilà-Nadal, Laia, Long, De-Liang, Galán-Mascarós, José Ramón, Cronin, Leroy

“…Water oxidation is a key reaction for the conversion of solar energy into chemical fuels, but effective water-oxidation catalysts are often based on rare and…”
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Combined Theoretical and Mass Spectrometry Study of the Formation-Fragmentation of Small Polyoxomolybdates by Vilà-Nadal, Laia, Wilson, Elizabeth F, Miras, Haralampos N, Rodríguez-Fortea, Antonio, Cronin, Leroy, Poblet, Josep M

“…We investigate the assembly of small polyoxomolybdates using Car–Parrinello molecular dynamics simulations which show that there is an expansion of the…”
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Looking for Options to Sustainably Fixate Nitrogen. Are Molecular Metal Oxides Catalysts a Viable Avenue? by González-Cabaleiro, Rebeca, Thompson, Jake A., Vilà-Nadal, Laia

“…Fast and reliable industrial production of ammonia (NH 3 ) is fundamentally sustaining modern society. Since the early 20 th Century, NH 3 has been synthesized…”
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Investigating the Formation of Giant {Pd72}Prop and {Pd84}Gly Macrocycles Using NMR, HPLC, and Mass Spectrometry by Christie, Lorna G, Asche, Silke, Mathieson, Jennifer S, Vilà-Nadal, Laia, Cronin, Leroy

“…The formation of giant polyoxo­metalate (POM) species is relatively under­explored, as their self-assembly process is complex due to the rapid kinetics…”
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Back Cover: Following the Reaction of Heteroanions inside a {W18O56} Polyoxometalate Nanocage by NMR Spectroscopy and Mass Spectrometry (Angew. Chem. Int. Ed. 27/2015) by Zheng, Qi, Vilà-Nadal, Laia, Busche, Christoph, Mathieson, Jennifer S., Long, De-Liang, Cronin, Leroy

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Polyoxometalate {W18O56XO6} Clusters with Embedded Redox-Active Main-Group Templates as Localized Inner-Cluster Radicals by Vilà-Nadal, Laia, Peuntinger, Katrin, Busche, Christoph, Yan, Jun, Lüders, Daniela, Long, De-Liang, Poblet, Josep M., Guldi, Dirk M., Cronin, Leroy

“…Non‐mixed‐valent reduced polyoxometalates, namely {W18O56XO6} Dawson‐like clusters (X=IVII or TeVI) with a localized redox active template have been…”
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