Publications associées à Phonon-Ion Interactions: Designing Ion Mobility Based on Lattice Dynamics

Publications associées (40)

Ion Spectroscopy Reveals Structural Difference for Proteins Microhydrated by Retention and Condensation of Water

Protein ubiquitin in its +7 charge state microhydrated by 5 and 10 water molecules has been interrogated in the gas phase by cold ion UV/IR spectroscopy. The complexes were formed either by condensing water onto the unfolded bare proteins in a temperature- ...

Amer Chemical Soc2024

Applications of the thawed Gaussian approximation to electronic spectroscopy

Eriks Kletnieks

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 ...

EPFL2024

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

Sakthi Priya Amirtharaj

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 ...

EPFL2024

Unearthing the foundational role of anharmonicity in heat transport in glasses

Paolo Pegolo

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 ...

Amer Physical Soc2024

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

Kangning Zhao

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 ...

Academic Press Inc Elsevier Science2024

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

Ignacio Pagonabarraga Mora

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 ...

AMER CHEMICAL SOC2023

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

Thomas Rizzo, Ahmed Ben Faleh, Stephan Warnke, Vasyl Yatsyna, Ali H Abikhodr

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 ...

2023

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

Stephan Brunner, Justin Richard Ball, Arnas Volcokas

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 ...

IOP Publishing Ltd2023

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

Mounir Driss Mensi

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 ...

Nature Portfolio2023

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

Olga Fink

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 ...

2023

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

Mike Seidel, Rongrong Cai

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 ...

Elsevier2023

Gas/Surface reactions probed by reflection absorption infrared spectroscopy

Harmina Vejayan

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 ...

EPFL2023

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

Kangning Zhao, Liping Zhong

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 ...

WILEY-V C H VERLAG GMBH2023

Antenna-coupled infrared nanospectroscopy of intramolecular vibrational interaction

Hatice Altug, Aurélian Michel John-Herpin

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 ...

National Academy of Sciences2023

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

Kangning Zhao

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 ...

ELSEVIER SCIENCE SA2023

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

Jiri Vanicek, Yannick Calvino Alonso, Eriks Kletnieks

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 ...

2023

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

Olivier Schneider, Aurelio Bay, Guido Haefeli, Tatsuya Nakada, Frédéric Blanc, Lesya Shchutska, Elena Graverini, Michel De Cian, Vladimir Macko, Sebastian Schulte, Donal Patrick Hill, Guillaume Max Pietrzyk, Maria Vieites Diaz, Marie Theres Christin Bachmayer, Lino Ferreira Lopes, Matthieu Philippe Luther Marinangeli, Serhii Cholak, Veronica Sølund Kirsebom, Ettore Zaffaroni, Surapat Ek-In, Ana Bárbara Rodrigues Cavalcante, Sara Celani, Renato Quagliani, Carina Trippl, Sonia Amina Bouchiba, Alison Maria Tully, Elisabeth Maria Niel, Maarten Willibrord Uriël Van Dijk

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 ...

American Physical Society2022

MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes

Sara Bonella, Alessandro Coretti

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 ...

2022

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

Thomas Rizzo, Ahmed Ben Faleh, Stephan Warnke, Ali H Abikhodr, Vasyl Yatsyna

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 ...

AMER CHEMICAL SOC2022

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

Guang-Yu Sun

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 ...

FRONTIERS MEDIA SA2022