Iván da Silva
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View article: The hydrogen sublattice in hydrated molybdenum trioxides: Insight from multi-energy neutron scattering
The hydrogen sublattice in hydrated molybdenum trioxides: Insight from multi-energy neutron scattering Open
Molybdenum oxides have attracted considerable attention in heterogeneous catalysis and energy storage applications owing to the unusual chemical flexibility of the Mo center. Unlike many transition metals, molybdenum can shift between seve…
View article: CCDC 2490022: Experimental Crystal Structure Determination
CCDC 2490022: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Structure and Kinetic Selectivity of Trapdoor Zeolites in Hydrogen Isotope Separation
Structure and Kinetic Selectivity of Trapdoor Zeolites in Hydrogen Isotope Separation Open
The potential of two families of trapdoor zeolites with chabazite (CHA) and merlinoite (MER) structures have been explored for selective hydrogen isotope separation by investigating the influence of framework structure and the presence of …
View article: Pressure-Induced Low-Spin State Destabilization and Piezo-Chromic Effect in an Iron(II) Spin Crossover Complex with Pyrazol-Pyridine-Triazolate Coordination Core
Pressure-Induced Low-Spin State Destabilization and Piezo-Chromic Effect in an Iron(II) Spin Crossover Complex with Pyrazol-Pyridine-Triazolate Coordination Core Open
Rapidly developing science and technology demand new materials with versatile and promising properties for practical applications. In this context, pseudo-octahedral iron(II) spin crossover (SCO) complexes are particularly appealing - not …
View article: Revisiting the Hydration and Dehydration Behavior of Li3InCl6 and Li3InCl6·xH2O: Crystal Structure Determination of the Intermediate Hydrated Phase
Revisiting the Hydration and Dehydration Behavior of Li3InCl6 and Li3InCl6·xH2O: Crystal Structure Determination of the Intermediate Hydrated Phase Open
Lithium indium chloride, Li3InCl6, is a promising solid-state electrolyte for all-solid-state batteries (ASSBs) due to its high room-temperature ionic conductivity and electrochemical stability. However, its sensitivity to atmospheric mois…
View article: MFM-300 as High-Performance Sorbents for Water-Adsorption-Driven Cooling
MFM-300 as High-Performance Sorbents for Water-Adsorption-Driven Cooling Open
Adsorption-driven heat transfer is potentially a sustainable technology to decarbonize heating and cooling. However, the development of high-performance adsorbent-adsorbate working pairs remains extremely challenging. Here, we report a met…
View article: Reduced Thermal Expansion and Improved Electrochemical Performance in Pr-Substituted SrFeO<sub>3</sub> as Symmetrical Electrode for Solid Oxide Fuel Cells
Reduced Thermal Expansion and Improved Electrochemical Performance in Pr-Substituted SrFeO<sub>3</sub> as Symmetrical Electrode for Solid Oxide Fuel Cells Open
Advances in doping strategies have significantly improved the properties of SrFeO3-based electrodes. However, challenges such as high thermal expansion coefficients and limited redox stability remain critical issues that require further in…
View article: Direct synthesis of a semiconductive double-helical phosphorus allotrope in a metal-organic framework
Direct synthesis of a semiconductive double-helical phosphorus allotrope in a metal-organic framework Open
There remains much ambiguity regarding the structure of red phosphorus. We report the adsorption and photo-polymerisation of P 4 molecules encapsulated in an indium(III)-based metal-organic framework to afford a double-helical chain compos…
View article: Synthesis optimization, adsorption properties and spectroscopic investigation of an NH<sub>2</sub>-tagged Cu-based MOF with open metal sites
Synthesis optimization, adsorption properties and spectroscopic investigation of an NH<sub>2</sub>-tagged Cu-based MOF with open metal sites Open
Rapid microwave-assisted solvothermal synthesis of a Cu–MOF (metal–organic framework) enables the formation of open metal sites of different natures and CO 2 sorption energetics.
View article: 60 K wide hysteresis embracing room temperature in a fluorescent Fe <sup>II</sup> spin transition complex
60 K wide hysteresis embracing room temperature in a fluorescent Fe <sup>II</sup> spin transition complex Open
A new Fe II spin-transieon complex with bis-(pyrazole-pyridine-triazolate) core shows 60 K-wide hysteresis near room temperature and T LIESST = 90 K exhibieng changes in color (yellow/brown) and fluorescence (sky-blue/violet) for the HS/LS…
View article: Chemical and electrochemical lithiation of van der Waals oxytelluride V<sub>2</sub>Te<sub>2</sub>O
Chemical and electrochemical lithiation of van der Waals oxytelluride V<sub>2</sub>Te<sub>2</sub>O Open
Reversible intercalation of lithium into the layered oxytelluride V 2 Te 2 O using both chemical and electrochemical methods is demonstrated.
View article: Solvent-free approach for the synthesis of heterometallic Fe–Zn-ZIF glass <i>via</i> a melt-quenched process
Solvent-free approach for the synthesis of heterometallic Fe–Zn-ZIF glass <i>via</i> a melt-quenched process Open
We report the solvent-free synthesis of MUV-25, a heterometallic imidazolate framework with precise Fe/Zn organization that melts into a heterometallic MOF-derived glass.
View article: Evidence of ferrimagnetism in Fe <sub>3</sub> GaTe <sub>2</sub> <i>via</i> neutron diffraction studies
Evidence of ferrimagnetism in Fe <sub>3</sub> GaTe <sub>2</sub> <i>via</i> neutron diffraction studies Open
The van der Waals material Fe 3 GaTe 2 exhibits long-range ferrimagnetism above room temperature as evidenced by temperature dependent neutron diffraction.
View article: Investigation of the magnetic spin correlations in the layered molybdenates, Mn<sub>2</sub>Mo<sub>3</sub>O<sub>8</sub> and MnAMo<sub>3</sub>O<sub>8</sub> (A = Fe, Co, Zn)
Investigation of the magnetic spin correlations in the layered molybdenates, Mn<sub>2</sub>Mo<sub>3</sub>O<sub>8</sub> and MnAMo<sub>3</sub>O<sub>8</sub> (A = Fe, Co, Zn) Open
An exotic range of magnetic (and other) properties have been observed in A 2 Mo 3 O 8 materials (where A is a single or mix of transition metals) making understanding their chemistry and physics timely.
View article: Rational Design of 7‐Azaindole‐Based Robust Microporous Hydrogen‐Bonded Organic Framework for Gas Sorption
Rational Design of 7‐Azaindole‐Based Robust Microporous Hydrogen‐Bonded Organic Framework for Gas Sorption Open
7‐Azaindole has been integrated as building block with complementary N−H⋅⋅⋅N hydrogen bonding sites for the synthesis of a tetrahedral molecular tecton, namely tetra(α‐carbolin‐6‐yl)methane, TACM. The self‐assembly of this molecule results…
View article: Rational Design of 7‐Azaindole‐Based Robust Microporous Hydrogen‐Bonded Organic Framework for Gas Sorption
Rational Design of 7‐Azaindole‐Based Robust Microporous Hydrogen‐Bonded Organic Framework for Gas Sorption Open
7‐Azaindole has been integrated as building block with complementary N−H⋅⋅⋅N hydrogen bonding sites for the synthesis of a tetrahedral molecular tecton, namely tetra(α‐carbolin‐6‐yl)methane, TACM. The self‐assembly of this molecule results…
View article: Oxygen Migration Pathways in Layered LnBaCo<sub>2</sub>O<sub>6-δ</sub> (Ln = La – Y) Perovskites
Oxygen Migration Pathways in Layered LnBaCo<sub>2</sub>O<sub>6-δ</sub> (Ln = La – Y) Perovskites Open
Layered LnBaCo2O6-δ perovskites are important mixed ionic-electronic conductors, exhibiting outstanding catalytic properties for the oxygen evolution/reduction reaction. These phases exhibit considerable structural complexity, in particula…
View article: Binding of carbon dioxide and acetylene to free carboxylic acid sites in a metal–organic framework
Binding of carbon dioxide and acetylene to free carboxylic acid sites in a metal–organic framework Open
Metal–organic frameworks incorporating free carboxylic acid and hydroxyl groups are beneficial for selective uptake of small molecules such as CO 2 and C 2 H 2 . This has been revealed through SXPD and INS/DFT studies.
View article: Spinel ferrites MFe<sub>2</sub>O<sub>4</sub> (M = Co, Cu, Zn) for photocatalysis: theoretical and experimental insights
Spinel ferrites MFe<sub>2</sub>O<sub>4</sub> (M = Co, Cu, Zn) for photocatalysis: theoretical and experimental insights Open
DFT simulations and synchrotron experiments offer new insights on the interplay between surface and bulk properties in spinel ferrites.
View article: Exceptional capture of methane at low pressure by an iron‐based metal‐organic framework
Exceptional capture of methane at low pressure by an iron‐based metal‐organic framework Open
The selective capture of methane (CH 4 ) at low concentrations and its separation from N 2 are extremely challenging owing to the weak host‐guest interactions between CH 4 molecules and any sorbent material. Here, we report the exceptional…
View article: Impact of Host–Guest Interactions on the Dielectric Properties of MFM-300 Materials
Impact of Host–Guest Interactions on the Dielectric Properties of MFM-300 Materials Open
Metal-organic framework (MOF) materials are attracting increasing interest in the field of electronics due to their structural diversity, intrinsic porosity, and designable host-guest interactions. Here, we report the dielectric properties…
View article: CCDC 2204128: Experimental Crystal Structure Determination
CCDC 2204128: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2204127: Experimental Crystal Structure Determination
CCDC 2204127: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2204126: Experimental Crystal Structure Determination
CCDC 2204126: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2204125: Experimental Crystal Structure Determination
CCDC 2204125: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Direct Conversion of Methane to Ethylene and Acetylene over an Iron-Based Metal–Organic Framework
Direct Conversion of Methane to Ethylene and Acetylene over an Iron-Based Metal–Organic Framework Open
Conversion of methane (CH4) to ethylene (C2H4) and/or acetylene (C2H2) enables routes to a wide range of products directly from natural gas. However, high reaction temperatures and pressures are often required to activate and convert CH4 c…