Phonon-Ion Interactions: Designing Ion Mobility Based on Lattice Dynamics

Chattez avec Graph Search

Posez n’importe quelle question sur les cours, conférences, exercices, recherches, actualités, etc. de l’EPFL ou essayez les exemples de questions ci-dessous.

AVERTISSEMENT : Le chatbot Graph n'est pas programmé pour fournir des réponses explicites ou catégoriques à vos questions. Il transforme plutôt vos questions en demandes API qui sont distribuées aux différents services informatiques officiellement administrés par l'EPFL. Son but est uniquement de collecter et de recommander des références pertinentes à des contenus que vous pouvez explorer pour vous aider à répondre à vos questions.

The exploration of electronically excited states and the study of diverse photochemical and photophysical processes are the main goals of molecular electronic spectroscopy. Exact quantum-mechanical simulation of such experiments is, however, beyond current ...

Molecular junctions represent a fascinating frontier in the realm of nanotechnology and are one of the smallest optoelectronic devices possible, consisting of individual molecules or a group of molecules that serve as the active element sandwiched between ...

The time-honored Allen -Feldman theory of heat transport in glasses is generally assumed to predict a finite value for the thermal conductivity, even if it neglects the anharmonic broadening of vibrational normal modes. We demonstrate that the harmonic app ...

In this study, a flexible, free-standing Fe -doped CoP nanoarrays electrode for superior lithium -ion storage has been successfully fabricated. The electrode combines the advantages of a Fe -doping and a flexible carbon cloth (CC) support, resulting in a h ...

Magnetic nanorods driven by rotating fields in water can be rapidly steered along any direction while generating strong and localized hydrodynamic flow fields. Here we show that, when raising the frequency of the rotating field, these nanopropellers underg ...

The high isomeric complexity of glycans makes them particularly difficult to analyze. While ultra-high-resolution ion mobility spectrometry(IMS) can offer rapid baseline separation of many glycan isomers,their unambiguous identification remains a challengi ...

Local nonlinear gyrokinetic simulations of tokamak plasmas demonstrate that turbulent eddies can extend along magnetic field lines for hundreds of poloidal turns when the magnetic shear is very small. By accurately modeling different field line topologies ...

Fluorination of solvents, useful for non-aqueous lithium-based batteries, improves the electrochemical stability but decreases the ionic conductivity. Here, the authors report a targeted functionalization of an ether solvent to balance the electrolyte ioni ...

The vibrational response of solid materials and structural components is substantially governed by their mechanical and geometrical properties. Low-frequency vibrations and modal frequencies are sensitive to global geometrical deviations, while high-freque ...

Thanks to its versatility in deploying large kicks with high efficiency, crystal channeling is being integrated more and more into modern particle accelerators. For example, at the CERN Large Hadron Collider, crystals are used, or planned to be used for co ...

In my thesis, I present an investigation of the dissociation reactions of gas phase molecules on single crystal metal surfaces studied by a molecular beam in combination with Reflection Absorption Infrared Spectroscopy (RAIRS). Two gas/surface systems were ...

Wadsley-Roth phase titanium niobium oxides have received considerable interest as anodes for lithium ion batteries. However, the volume expansion and sluggish ion/electron transport kinetics retard its application in grid scale. Here, fast and durable lith ...

Many photonic and electronic molecular properties, as well as chemical and biochemical reactivities are controlled by fast intramolecular vibrational energy redistribution (IVR). This fundamental ultrafast process limits coherence time in applications from ...

The sustainable development of rechargeable aqueous zinc-ion batteries (RZIBs) is severely limited by the uncontrolled zinc dendritic growth and side reactions on the anode. Herein, a lignocellulose nanofiber (LCNF) separator from waste palm with dual-func ...

Despite its simplicity, the single-trajectory thawed Gaussian approximation has proven useful for calculating the vibrationally resolved electronic spectra of molecules with weakly anharmonic potential energy surfaces. Here, we show that the thawed Gaussia ...

The first observations of B-0 -> (D) over bar*(2007)K-0(+)pi(-) and B-s(0) -> (D) over bar*(2007)K-0(-)pi(+) decays are presented, and their branching fractions relative to that of the B ->( D) over bar* (2007)(0)pi(+)pi(-) decay are reported. These modes ...

Electrochemistry is central to many applications, ranging from biology to energy science. Studies now involve a wide range of techniques, both experimental and theoretical. Modeling and simulations methods, such as density functional theory or molecular dy ...

Coupling vibrational ion spectroscopy with highresolution ion mobility separation offers a promising approach for detailed analysis of biomolecules in the gas phase. Improvements in the ion mobility technology have made it possible to separate isomers with ...

A one-dimensional Vlasov-Poisson simulation code is employed to investigate the plasma sheath considering electron-induced secondary electron emission (SEE) and backscattering. The SEE coefficient is commonly treated as constant in a range of plasma simula ...

Lithium-ion batteries with enhanced rate performance are of crucial importance for practical applications. Extensive studies on the structural design and surface modification of electrode materials with the aim of improving the rate performance have been r ...

Phonon-Ion Interactions: Designing Ion Mobility Based on Lattice Dynamics

Chattez avec Graph Search

Applications of the thawed Gaussian approximation to electronic spectroscopy

Plasmonically enhanced molecular junctions for investigation of atomic-scale fluctuations in self-assembled monolayers

Unearthing the foundational role of anharmonicity in heat transport in glasses

Flexible free-standing Fe-CoP-NAs/CC nanoarrays for high-performance full lithium-ion batteries

Unveiling the Rolling to Kayak Transition in Propelling Nanorods with Cargo Trapping and Pumping

Using Hadamard Transform Multiplexed IR Spectroscopy Together with a Segmented Ion Trap for the Identification of Mobility-Selected Isomers

Ultra long turbulent eddies, magnetic topology, and the triggering of internal transport barriers in tokamaks

Electrolyte engineering via ether solvent fluorination for developing stable non-aqueous lithium metal batteries

Vibrational NDT with Under-sampled Data through Physics-informed Neural Networks

Simulation framework and measurements of crystal collimation of proton beams at the Large Hadron Collider

Gas/Surface reactions probed by reflection absorption infrared spectroscopy

Fast and Durable Lithium Storage Enabled by Tuning Entropy in Wadsley-Roth Phase Titanium Niobium Oxides

Antenna-coupled infrared nanospectroscopy of intramolecular vibrational interaction

A water-gating and zinc-sieving lignocellulose nanofiber separator for dendrite-free rechargeable aqueous zinc ion battery

Isotope Effects on the Electronic Spectra of Ammonia from Ab Initio Semiclassical Dynamics

Observation of the B-0 -> (D)over-barK-0(+) pi(-) and B-s(0) -> (D)over-barK-0(-)pi(+) decays

MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes

High-Throughput Multiplexed Infrared Spectroscopy of Ion Mobility-Separated Species Using Hadamard Transform

Vlasov simulation of the emissive plasma sheath with energy-dependent secondary emission coefficient and improved modeling for dielectric charging effects

Enhanced rate performance of lithium-ion battery anodes using a cobalt-incorporated carbon conductive agent