Publications associées à Spectroscopie atomique

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

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

Speciation of Lanthanide Metal Ion Dopants in Microcrystalline All-Inorganic Halide Perovskite CsPbCl3

David Lyndon Emsley, Dominik Józef Kubicki, Albert Hofstetter, Daniel Prochowicz, Amita Ummadisingu

Lanthanides are versatile modulators of optoelectronic properties owing to their narrow optical emission spectra across the visible and near-infrared range. Their use in metal halide perovskites (MHPs) has recently gained prominence, although their fate in ...

Amer Chemical Soc2024

Revealing the Structure of Tryptophan in Microhydrated Complexes by Cold Ion Spectroscopy

Natalia Nagornova, Oleg Boyarkine, Andrei Zviagin, Ruslan Yamaletdinov, Manuel Dömer

The geometry of biomolecules isolated in the gas phaseusuallydiffers substantially from their native structures in aqueous solution,which are the only ones truly relevant to life science. To connectthe high resolution of cold ion spectroscopy that can be a ...

2023

Bridging Native and Intrinsic Structures of Microhydrated Biomolecules by Cold Ion Spectroscopy

Andrei Zviagin

Solving native structures of such large molecules, like biomolecules, is often challenging, particularly due to the potentially infinite number of non-covalent interactions with water. In this thesis, we report the use of cold ion gas-phase action spectros ...

EPFL2023

Large Orbital Moment of Two Coupled Spin-Half Co Ions in a Complex on Gold

Stefano Rusponi, Chao Li, Boris Sorokin

The magnetic propertiesof transition-metal ions aregenerallydescribed by the atomic spins of the ions and their exchange coupling.The orbital moment, usually largely quenched due the ligand field,is then seen as a perturbation. In such a scheme, S = 1/2 io ...

AMER CHEMICAL SOC2023

Oxygen Evolution at the BiVO4-Water Interface: Mechanism of the Water Dehydrogenation Reaction

Alfredo Pasquarello, Julia Anna Wiktor, Sai Lyu

We study the water dehydrogenation reaction at the BiVO4(010)-water interface by combining nudged-elastic-band calculations and electronic structure calculations at the hybrid functional level. We investigate the pathway and the kinetic barrier for the adi ...

AMER CHEMICAL SOC2022

A novel hydrogenic spectroscopic technique for inferring the role of plasma-molecule interaction on power and particle balance during detached conditions

Basil Duval, Artur Perek, Kevin Henricus Annemarie Verhaegh, Mirko Wensing

Detachment, an important mechanism for reducing target heat deposition, is achieved through reductions in power, particle and momentum; which are induced through plasma-atom and plasma-molecule interactions. Experimental research in how those reactions pre ...

IOP PUBLISHING LTD2021

Structural and analytical identifications of biomolecules by cold ion spectroscopy of non-covalent complexes

Erik Saparbayev

Non-covalent interactions are ubiquitous in nature. The diversity and functionality of these interactions are employed by nature as a universal tool for building the molecular mechanism of life. Although weak, these interactions play a key role in both for ...

EPFL2021

Effects of high pulse intensity and chirp in two-dimensional electronic spectroscopy of an atomic vapor

The effects of high pulse intensity and chirp on two-dimensional electronic spectroscopy signals are experimentally investigated in the highly non-perturbative regime using atomic rubidium vapor as clean model system. Data analysis is performed based on hi ...

2020

FB-ECDA: Fragment-based Electronic Coupling Decomposition Analysis for Organic Amorphous Semiconductors

Anne-Clémence Corminboeuf, Kun-Han Lin

We present a fragment-based decomposition analysis tool (FB-ECDA) for the electronic coupling of charge transfer processes. This tool provides insight on the sophisticated relationship between molecular packing, electronic coupling, and the molecular trans ...

AMER CHEMICAL SOC2020

Degradation analysis in mixed (MAPbI(3) and MAPbBr(3)) perovskite solar cells under thermal stress

Mohammad Khaja Nazeeruddin, Sanghyun Paek, Zubair Ahmad

The current study provides an insight into the thermal stability of perovskite solar cells (PSCs) and the factors causing their degradation. To this end, a systematic stability study was carried out on n-i-p type perovskite solar cells involving mesoporous ...

SPRINGER2019

Gas-phase structures reflect the pain-relief potency of enkephalin peptides

Oleg Boyarkine, Vladimir Kopysov, Aleksandr Pereverzev

We use cold ion spectroscopy and quantum-chemical computations to solve the structures of opioid peptides enkephalins in the gas phase. The derived structural parameters clearly correlate with the known pharmacological efficiency of the studied drugs, sugg ...

2019

One-dimensional facile growth of MAPbI(3) perovskite micro-rods

Mohammad Khaja Nazeeruddin, Zubair Ahmad

One-dimensional microrods (4-5 mm) of PbI2 and CH3NH3PbI3 (MAPbI(3)) with unique structural and morphological properties have been grown at room temperature. X-ray diffraction (XRD) patterns of both types of micro-rods exhibit a hexagonal system (P3m1(164) ...

2019

Deciphering the Mechanisms of Bacterial Inactivation on HiPIMS Sputtered CuxO-FeOx-PET Surfaces: From Light Absorption to Catalytic Bacterial Death

Sami Rtimi, Adrien Alexis Paul Chauvet

The production of nontoxic, affordable, and efficient antibacterial surfaces is key to the well-being of our societies. In this aim, antibacterial thin films have been prepared using earth-abundant metals deposited using high-power impulse magnetron sputte ...

2019

Structure and properties of edge dislocations in BiFeO3

Cécile Hébert, Daniele Passerone, Rolf Erni, Piyush Agrawal

Edge dislocations are frequently found in epitaxial BiFeO3 multiferroic thin films and are expected to exhibit distinctive and localized magnetoelectric properties. However, an exhaustive characterization of these dislocations at the atomic level has to da ...

AMER PHYSICAL SOC2019

Dynamics of nanoscale systems probed by time-resolved STM-induced luminescence

Anna Maria Roslawska

The efficiency and peculiarities of processes such as surface adsorption or electron-to-photon energy conversion in organic and inorganic structures are determined by the dynamics at the scale of individual molecules, atoms and charges. The timescales of s ...

EPFL2019

Cold ion spectroscopy for structural identifications of biomolecules

Oleg Boyarkine

Over the last decade, the spectroscopy of cryogenically cold ions iso- lated in the gas phase has been developed as a new tool for structural elucidations of biological molecules. Cooling allows for vibrational resolution in UV and IR spectra of small to m ...

2018

Initial Steps of Amyloidogenic Peptide Assembly Revealed by Cold-Ion Spectroscopy

Natalia Nagornova, Oleg Boyarkine, Vladimir Kopysov

The early stages of fibril formation are difficult to capture in solution. We use cold-ion spectroscopy to examine an 11-residue peptide derived from the protein transthyretin and clusters of this fibre-forming peptide containing up to five units in the ga ...

Wiley-Blackwell2018

Intrinsic structure of pentapeptide Leu-enkephalin: geometry optimization and validation by comparison of VSCF-PT2 calculations with cold ion spectroscopy

Oleg Boyarkine, Vladimir Kopysov, Aleksandr Pereverzev, Robert Benny Gerber

The intrinsic structure of an opioid peptide [Ala2, Leu5]-leucine enkephalin (ALE) has been investigated using first-principles based vibrational self-consistent field (VSCF) theory and cold ion spectroscopy. IR-UV double resonance spectroscopy revealed th ...

2018

Surface-Enhanced NMR Spectroscopy

Dominik Józef Kubicki

Dynamic Nuclear Polarization (DNP) is currently one of the most efficient ways of enhancing sensitivity in solid-state NMR experiments. The DNP protocol consists in doping a sample with a small amount of para-magnetic species, typically nitroxide biradical ...

EPFL2018