A5029165002- Advancements in Battery Materials
- Advanced Battery Materials and Technologies
- Advanced battery technologies research
- Laser-Matter Interactions and Applications
- Advanced Chemical Physics Studies
- Spectroscopy and Quantum Chemical Studies
- Mass Spectrometry Techniques and Applications
- Advanced Battery Technologies Research
- Inorganic Chemistry and Materials
- Extraction and Separation Processes
- Thermal Expansion and Ionic Conductivity
- Electron and X-Ray Spectroscopy Techniques
- MXene and MAX Phase Materials
- Cold Atom Physics and Bose-Einstein Condensates
- Hydrogen Storage and Materials
- Layered Double Hydroxides Synthesis and Applications
- Microstructure and mechanical properties
- Transition Metal Oxide Nanomaterials
- Molecular Junctions and Nanostructures
- Semiconductor materials and interfaces
- Solid-state spectroscopy and crystallography
- Molten salt chemistry and electrochemical processes
- Electromagnetic Effects on Materials
- Laser-Ablation Synthesis of Nanoparticles
- thermodynamics and calorimetric analyses
Institut de Ciència de Materials de Barcelona
2016-2024
Universitat Autònoma de Barcelona
2018-2024
Matériaux Ingénierie et Science
2014
Université Claude Bernard Lyon 1
2014
Institut National des Sciences Appliquées de Lyon
2014
Centre National de la Recherche Scientifique
2014
Université de Sherbrooke
2007-2011
A comparative study of the electrochemical intercalation Ca2+ and Mg2+ in layered TiS2 using alkylcarbonate-based electrolytes is reported, for first time, reversible insertion proved this compound both X-ray diffraction differential absorption tomography at Ca L2 edge. Different new phases are formed upon M2+ that structurally characterized, their amount composition being dependent on experimental conditions. The phase reduction found to be result an ion-solvated mechanism, with solvent...
A comprehensive study is reported entailing a comparison of Li, Na, K, Mg, and Ca based electrolytes an investigation the reliability electrochemical tests using half-cells. Ionic conductivity, viscosity, Raman spectroscopy results point to cation-solvent interaction follow polarizing power cations, i.e. Mg2+ > Ca2+> Li+ Na+ K+ divalent cation having stronger tendency form ion pairs – lowering accessibility mobility. Both increased temperature use anions with delocalized negative charge,...
Abstract Battery technologies based in multivalent charge carriers with ideally two or three electrons transferred per ion exchanged between the electrodes have large promises raw performance numbers, most often expressed as high energy density, and are also on materials that widely abundant less expensive. Yet, these still globally their infancy, some concepts (e.g. Mg metal) being more technologically mature. The challenges to address derived one side from highly polarizing nature of ions...
Abstract The development of high energy density battery technologies based on divalent metals as the negative electrode is very appealing. Ca and Mg are especially interesting choices due to their combination low standard reduction potential natural abundance. One particular problem stalling technological these batteries efficiency plating/stripping at electrode, which relates several factors that have not yet been looked systematically; nature/concentration electrolyte, determines mass...
The electrochemical oxidation of a transition metal oxide through calcium extraction is achieved for the first time. 1D framework Ca3Co2O6 maintained upon and new phase formed exhibits modulated structure. process occurs at high potential partially reversible, which opens prospects battery proof-of-concept.
A comparative study of the reduction TiS 2 in diverse electrolyte formulations involving Ca(BF 4 ) and Ca(TFSI) salts was carried out at different temperatures (from 25 °C to 100 °C). While for former salt intercalation calcium is only observed high temperatures, intercalated phases are also latter even room temperature. The nature does have an impact on relative amounts formed. Since based electrolytes do not enable plating, cycling attempted using activated carbon as counterelectrode,...
Molecular high-order harmonic generation (MHOHG) is studied from appropriate time-dependent Schrödinger equation (TDSE) solutions of a 2D equilateral two-electron H+3 molecular ion in interaction with an intense (5 × 1014 W cm−2) few-cycle 800 nm linearly polarized laser pulse. The nonperturbative Born–Oppenheimer (static nuclei) wavefunction used to calculate the MHOHG spectrum as function laser–molecule orientation and internuclear distance R. Three-centre interferences are shown be...
Abstract Mg metal anode‐based battery is a more sustainable, lower cost, and higher energy density alternative to Li‐ion. However, this chemistry also faces several challenges associated with the high charge of 2+ , including achieving reversibility low voltage hysteresis for plating/stripping. While significant improvements are achieved in last decades, they involve rather complex electrolyte formulations and/or salts difficult produce, use unpractical substrates such as platinum. Here,...
Layered MgMoN2 was prepared by solid state reaction at high temperature between Mo and Mg3N2 in N2 which represents a simple synthetic pathway compared to the previously reported method that used NaN3 as nitrogen source. The crystal structure of studied synchrotron X-ray neutron powder diffraction. feasibility oxidizing this compound concomitantly extracting magnesium from assessed both chemical electrochemical approaches, using different protocols. diffraction patterns oxidized samples do...
A novel method for accurate and efficient evaluation of the change in energy barriers carbon diffusion ferrite under heterogeneous stress is introduced. This method, called Linear Combination Stress States, based on knowledge effects simple stresses (uniaxial or shear) these barriers. Then, it assumed that a complex can be expressed as linear combination already known effects. The modifications by either uniaxial traction/compression shear are determined means atomistic simulations with...
Abstract Using numerical solutions of the time‐dependent Schrödinger equation for H 2 molecule in intense laser fields we calculate vibrational excitation induced by Raman chirped adiabatic process (RCAP). We show that adding several higher electronic surfaces to a simple two‐surface model improves efficiency ladder‐climbing at intensities below adiabaticity threshold. Furthermore, although using photon energies close one‐photon transition frequency allows use lower pump and Stokes...
Using a three-dimensional quasiclassical technique, we explore double ionization in N${}_{2}$ when driven by linearly polarized, infrared (800 nm) long (27 fs) laser pulse. For intensities ranging from the tunneling to over-the-barrier regime, identify double-ionization pathways unified way as function of total final electron energy. Moreover, for intermediate regime find that correlated momenta have prevailing square pattern. This pattern is mainly due delayed (one ejected with delay after...
1D Ca3Co2–zMzO6 (M = Co z 0, M Mn 1, and Fe 0.4) were prepared tested electrochemically. While the iron-containing phase was not found to be active, iron- manganese-containing phases potentially interesting as positive electrode materials for calcium metal-based high-energy battery technologies investigated by operando synchrotron X-ray diffraction. Results indicate that electrochemically driven deintercalation from crystal structure (ca. 0.7 mol per formula unit) takes place upon oxidation...
Time-dependent Schrödinger equation, TDSE, simulations have been performed in order to prepare and study via MPIPS the evolution of vibrational wave packets on ion pair electronic state potentials B''B1Sigma(u)(+) Hh1Sigma(g)(+) H2 molecule. Using ab initio potential surfaces transition moments, we present two- three-photon excitation schemes with ultrashort pulses (tau <or= 10 fs) coherent superpositions two H(+)H(-) H(-)H(+) states from doorway B1Sigma(u)(+) state, which result strong...
The development of a rechargeable battery technology using light electropositive metal anodes would bring in breakthrough energy density, especially if it involves multivalent charge carriers. While effective electrolytes have been developed for magnesium which has enabled to achieve proof-of-concept batteries, the electrodeposition calcium was thought be impossible and research restricted non systems. Calcium is an attractive alternative as fifth most abundant element on earth crust its...
Using a three-dimensional quasiclassical technique we explore molecular double ionization by linearly polarized, infrared (800~nm) 27~fs laser pulse. For intensities ranging from the tunneling to over-the-barrier regime, identify pathways in unified way as function of total electron energy. discuss differences interplay (DI) between strongly driven He and $N_{2}$. intermediate find that both correlated momenta probability distribution energy probe phase re-colliding electron. This allows for...
We present in a three-dimensional quasiclassical framework unified way of exloring double ionization strongly driven atomic and molecular systems. identify explore different pathways compare the results for also show that correlated electron momenta probe tunnelling phase re-colliding N2. Finally we full fragmentation H2 which are good agreement with experimental results.
While the current state-of-the-art in rechargeable batteries is Li-ion technology, research efforts are intensified towards development of alternative technologies to satisfy ever-increasing demand for enhanced energy density. The based on intercalation reaction multivalent cations (Ca 2+ , Mg Al 3+ ) a challenge electrochemical storage. Designing such demands identification competitive electrode materials and electrolytes each particular active ion. In last years, we have combined...
Batteries based on naturally abundant, light metal anodes (such as Ca and Mg) multivalent ion host cathodes can potentially achieve very high energy densities at relatively low cost environmental impact, thus representing a compelling alternative to currently available Li-ion systems. While reversible plating stripping in conventional alkyl carbonate electrolytes has been accomplished [1,2], unraveling cathode materials with fast mobility operating voltages remains major open challenge,...
The study of intercalation compounds [1] led to the identification redox reactions in host transition metal involving reversible (usually topotactic) insertion and deinsertion M n+ ions. Studies with Li + turned out be a cornerstone development Li-ion battery technology [2] that has synergistically boosted portable electronics, while multivalent cations (n>1) remained an academic curiosity. Yet, current energy needs for batteries require significant improvement density, beyond...