A5006397280- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Organic Chemistry Cycloaddition Reactions
- Crystallography and molecular interactions
- Molecular Junctions and Nanostructures
- Iron oxide chemistry and applications
- Copper-based nanomaterials and applications
- Asymmetric Synthesis and Catalysis
- Synthesis and Catalytic Reactions
- Advanced NMR Techniques and Applications
- Electron Spin Resonance Studies
- Click Chemistry and Applications
- Characterization and Applications of Magnetic Nanoparticles
- Conducting polymers and applications
- Advanced Chemical Physics Studies
- Asymmetric Hydrogenation and Catalysis
- Magnetic Properties and Synthesis of Ferrites
- NMR spectroscopy and applications
- Magnetism in coordination complexes
- Nanoparticle-Based Drug Delivery
- Surface Chemistry and Catalysis
- ZnO doping and properties
- Magnetic properties of thin films
- Chemistry and Chemical Engineering
- Catalytic Processes in Materials Science
Istituto di Scienze e Tecnologie Chimiche "Giulio Natta"
2019-2024
Istituto di Chimica Biomolecolare
2021-2024
National Research Council
2021
Institute of Molecular Science and Technologies
2011-2020
Consorzio Roma Ricerche
2013-2019
Mylan (Switzerland)
2019
National Interuniversity Consortium of Materials Science and Technology
2006-2009
University of Milan
1992-2008
Consorzio Milano Ricerche
1999-2000
ETH Zurich
1994
Magnetic nanoparticles, MNPs, mineralized within a human ferritin protein cage, HFt, can represent an appealing platform to realize smart therapeutic agents for cancer treatment by drug delivery and magnetic fluid hyperthermia, MFH. However, the constraint imposed inner diameter of shell (ca. 8 nm) prevents its use as heat mediator in MFH when MNPs comprise pure iron oxide. In this contribution, we demonstrate how limitation be overcome through controlled doping core with small amount...
High-entropy oxides (HEOs) have emerged as promising anode materials for next-generation lithium-ion batteries (LIBs). Among them, spinel HEOs with vacant lattice sites allowing lithium insertion and diffusion seem particularly attractive. In this work, electrospun oxygen-deficient (Mn,Fe,Co,Ni,Zn) HEO nanofibers are produced under environmentally friendly calcination conditions evaluated active material in LIBs. A thorough investigation of the properties Li
Mixed Cu/Cu-oxide nanoparticles are an effective catalyst for the "click" 1,3-dipolar cycloaddition between azides and terminal alkynes, featuring short reaction times, soft conditions full regioselectivity.
PEBBLES is a user-friendly software program which implements an accurate, unbiased, and fast method to measure the morphology of population nanoparticles (NPs) from TEM micrographs. The morphological parameters projected NP shape are obtained by fitting intensity models micrograph. can be used either in automatic mode, where both validation reliably carried out with minimal human intervention, manual user has full control on steps. Accuracy diameter measurement been shown ≲1%. When operated...
Abstract Defect‐engineering is a viable strategy to improve the activity of nanocatalysts for oxygen evolution reaction (OER), whose slow kinetics still strongly limits broad market penetration electrochemical water splitting as sustainable technology large‐scale hydrogen production. High‐entropy spinel oxides (HESOs) are in focus due their great potential low‐cost OER electrocatalysts. In this work, electrospun HESO nanofibers (NFs), based on (Cr,Mn,Fe,Co,Ni), (Cr,Mn,Fe,Co,Zn) and...
Copper catalysts prepared by chemisorption-hydrolysis technique over silica (Cu/Si) and silica-alumina (Cu/SiAl) supports were studied to understand the role of support on nature surface properties copper species stabilized their surfaces. The morphological phases have been characterized complementary techniques, such as HRTEM, EXAFS-XANES, EPR, XPS, FTIR. For FTIR investigation, molecular probes (CO NO) also adsorbed surfaces test reactivity species. Moreover, catalytic performances two...
Correlated, counterpoise corrected wave function calculations on the hydrogen−coronene system are used to investigate energy landscape and dynamic behavior of hydrogen atoms physisorbed graphite. The adopted MP2 correlation level, employing aug-cc-pVDZ basis set augmented with bond functions, has been selected after extensive investigation smaller hydrogen−benzene system. computed physisorption (39.7 meV) is in excellent agreement existing experimental value (39.2 ± 0.5) meV for a graphite...
Charge order in underdoped and optimally doped high-$T_\mathrm{c}$ superconductors Bi$_{2}$Sr$_{2-x}$La$_x$CuO$_{6+\delta}$ (Bi2201) is investigated by Cu $L_3$ edge resonant inelastic x-ray scattering (RIXS). We have directly observed charge density modulation the Bi2201 at momentum transfer $Q_{\|} \simeq 0.23$ rlu, with smaller intensity correlation length respect to sample. This demonstrates that short-range persists up optimal doping, as other hole-doped cuprates. explored nodal...
High-entropy oxide nanofibers, based on equimolar (Cr,Mn,Fe,Co,Ni), (Cr,Mn,Fe,Co,Zn) and (Cr,Mn,Fe,Ni,Zn) combinations, were prepared by electrospinning followed calcination. The obtained hollow nanofibers exhibited a porous structure consisting of interconnected nearly strain-free (Cr1/5Mn1/5Fe1/5Co1/5Ni1/5)3O4, (Cr1/5Mn1/5Fe1/5Co1/5Zn1/5)3O4 (Cr1/5Mn1/5Fe1/5Ni1/5Zn1/5)3O4 single crystals with pure Fd3̄m spinel structure. Oxidation state the cations at nanofiber surface was assessed X-ray...
Octahedral monodisperse α-MnS and MnO nanoparticles have been synthesized by decomposing manganese oleate elemental sulfur in octadecene at high (250−320 °C) temperature. The chemical composition of the obtained NPs depends on Mn:S ratio an unexpected way. Pure NP samples are when S:Mn ≥ 2:1, whereas pure require ≤ 0.6. Variation several parameters (concentration sulfur, heating rate aging temperature time) resulted a size interval 11−14 (from Mn monooleate) 18−30 nm dioleate). For only,...
Nanoparticles (NPs) have received much attention in recent years for their diverse potential biomedical applications. However, the synthesis of NPs with desired biodistribution and pharmacokinetics is still a major challenge, NP size surface chemistry being main factors determining behavior vivo. Here we report on vitro cellular uptake magnetic iron oxide coated zwitterionic dopamine sulfonate (ZDS). ZDS-coated were compared to similar PEG-like 2-[2-(2-methoxyethoxy)ethoxy]acetic acid (MEEA)...
Local softness and the local HSAB principle, as defined within DFT, have attracted considerable interest since they can be used to predict regioselectivity from electronic properties of isolated reactants only. This approach proved successful in predicting several cycloaddition reactions. However, employed prediction criteria are only loosely derived HSAB. In this paper atomic grand potential variation is introduced a quantitative measure stabilization induced by bond-forming interactions....
The dynamics following the photoionization of neutral Rb and Cs atoms residing in a dimple at surface superfluid $^{4}\mathrm{He}_{1000}$ nanodroplet has been investigated within time-dependent density functional theory, complementing previous study on Ba. calculations reveal that structured high helium solvation layers form around both ${\mathrm{Rb}}^{+}$ ${\mathrm{Cs}}^{+}$ cation picosecond time scale, forming so-called snowballs. In contrast to ion, is not solvated by droplet but rather...
High-entropy oxides with spinel structure (SHEOs) are promising anode materials for next-generation lithium-ion batteries (LIBs). In this work, electrospun (Mn,Fe,Co,Ni,Zn) SHEO nanofibers produced under different conditions evaluated as in LIBs and thoroughly characterised by a combination of analytical techniques. The variation metal load (19.23 or 38.46 wt% relative to the polymer) precursor solution calcination (700 °C/0.5 h, 700 °C/2 h followed 900 h) affects morphology, microstructure,...
Several 1(4-substituted)phenyl-4- or 5-methoxycarbonyl-1,2,3-triazoles have been synthesized by 1,3-dipolar cycloaddition of the corresponding arylazides to methyl propiolate in carbon tetrachloride. The regioselectivity these reactions cannot be rationalized on basis electronic demands reactants frontier molecular-orbital theory. Therefore, we applied this problem a quantitative formulation HSAB principle developed within density functional Global and local reactivity indices were computed...
Abstract Careful analysis and comparison of optical electrochemical data available in recent literature for multi‐thiophene molecular assemblies suggested a few basic rules the design structurally simple easily accessible oligothiophenes endowed with properties not far from those exhibited by much more complex synthetically demanding architectures. The synthesis computational investigation three examples class (spider‐like) tailored according to these indications are reported together their...
We investigated binding of hydrogen atoms to small polycyclic aromatic hydrocarbons (PAHs)--i.e., graphene dots with hydrogen-terminated edges--using density functional theory and correlated wavefunction techniques. considered a number PAHs three seven hexagonal rings computed energies for most the symmetry unique sites, along minimum energy paths significant cases. The chosen are enough not present radical character at their edges, yet show clear preference adsorption edge sites which can...