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Nuclear quadrupole resonance

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Publications associées (31)

Atomistic origins of the limited phase stability of Cs+-rich FAxCs(1-x)PbI3 mixtures

Michael Graetzel, David Lyndon Emsley, Ursula Röthlisberger, Ariadni Boziki, Simone Meloni, Dominik Józef Kubicki, Aditya Mishra

Mixed cation perovskites, [HC(NH2)2]xCs(1-x)PbI3, (FAxCs(1-x)PbI3) with x=0.8 achieve high solar cell power conversion efficiencies (PCEs) while exhibiting long-term stability under ambient conditions. In this work, we perform density functional theory (DF ...

2020

Revealing Exciton and Metal–Ligand Conduction Band Charge Transfer Absorption Spectra in Cu-Zn-In-S Nanocrystals

Jacques-Edouard Moser, Etienne Christophe Socie, Brener Rodrigo De Carvalho Vale

Copper indium sulfide quantum dots (QDs) have attracted substantial attention in recent years due to environmental issues and diverse applications. We report the synthesis and characterization of copper-zinc-indium-sulfide (CZIS) QDs and CZIS treated with ...

2020

Modes interplay controls the second harmonic generation dynamics of plasmonic nanostructures

Olivier Martin, Andrei Kiselev, Gabriel David Bernasconi

A large amount of experimental and theoretical works deals with the second harmonic generation from different plasmonic geometries. Since they often consider relatively long optical pulses, many of these studies are focused on the investigation of a quasi- ...

SPIE2020

Advanced Computational Methods for NMR Crystallography

Albert Hofstetter

Knowledge of the atomic-level structure is key to understanding and predicting properties of materials. X-ray diffraction (XRD) is the methods of choice for structures containing well-defined long-range order. However, many materials contain various degree ...

EPFL2019

Dalitz plot analysis of the D+ -> K-K+K+ decay

Olivier Schneider, Aurelio Bay, Yiming Li, Guido Haefeli, Frédéric Blanc, Christoph Frei, Tatsuya Nakada, Michel De Cian, Luca Pescatore, Chitsanu Khurewathanakul, Matthieu Philippe Luther Marinangeli, Minh Tâm Tran, François Fleuret, Pietro Marino, Elena Graverini, Federico Leo Redi, Plamen Hristov Hopchev, Renato Quagliani, Maxime Schubiger, Federico Betti, Guido Andreassi, Violaine Bellée, Aravindhan Venkateswaran, Olivier Göran Girard, Luis Miguel Garcia Martin, Axel Kuonen, Vitalii Lisovskyi, Preema Rennee Pais, Katharina Müller, Jian Wang, Pavol Stefko, Mingkui Wang, Tara Nanut, Zhirui Xu, Maria Elena Stramaglia, Yi Zhang, Vladimir Macko, Guillaume Max Pietrzyk, Lei Zhang, Aleksey Vorobyev, Jessica Prisciandaro, , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , ,

Chemical exchange at the ferroelectric phase transition of lead germanate revealed by solid state Pb-207 nuclear magnetic resonance

David Lyndon Emsley, Arnaud Magrez, Brennan James Walder, Jasmine Viger-Gravel, Claudia Esther Avalos

The nature of the dynamics and structural changes that take place at the ferroelectric phase transition in lead oxides is a rich field of study. Solid-state nuclear magnetic resonance (NMR) of Pb-207 is well suited to study the local structure and disorder ...

ROYAL SOC CHEMISTRY2019

Mechanoperovskites for Photovoltaic Applications: Preparation, Characterization, and Device Fabrication

Michael Graetzel, Pankaj Kumar Yadav, Daniel Prochowicz

Hybrid organic-inorganic metal halide perovskites (MHPs) have emerged as excellent absorber materials for next generation solar cells owing to their simple solution-processed synthesis and high efficiency. This breakthrough in photovoltaics along with an a ...

AMER CHEMICAL SOC2019

Selective synthesis of dimethyl ether on eco-friendly K10 montmorillonite clay

Jeremy Luterbacher, Oliver Kröcher, Florent Emmanuel Héroguel, Alimohammad Bahmanpour, Christophe Jean Baranowski

The methanol dehydration reaction was studied over environmentally benign, easily accessible and inexpensive K10 montmorillonite clay used as the catalyst at a temperature range between 200–700 °C. Nearly 100% selectivity towards dimethyl ether (DME) at 80 ...

2018

BDPA-Nitroxide Biradicals Tailored for Efficient Dynamic Nuclear Polarization Enhanced Solid-State NMR at Magnetic Fields up to 21.1 T

David Lyndon Emsley, Aaron James Rossini, Dominik Józef Kubicki, Arthur César Pinon, Moreno Lelli, Georges Guévork Jean-Jacques Menzildjian, David Benjamin Roger Antoine Gajan

Dynamic nuclear polarization (DNP) solid-state nuclear magnetic resonance (NMR) has developed into an invaluable tool for the investigation of a wide range of materials. However, the sensitivity gain achieved with many polarizing agents suffers from an unf ...

AMER CHEMICAL SOC2018

Singlet state formation and its impact on the magnetic structure in the tetramer system SeCuO3

Henrik Moodysson Rønnow, Arnaud Magrez, Ivica Zivkovic, Helmuth Berger, Krunoslav Prsa, Peter Babkevich

We present an experimental investigation of the magnetic structure in a tetramer system SeCuO3 using neutron powder-diffraction and nuclear resonance techniques. We establish a commensurate antiferromagnetic ordering with a propagation vector k = (0, 0, 1) ...

2018

On-the-Fly Ab Initio Semiclassical Evaluation of Absorption Spectra of Polyatomic Molecules beyond the Condon Approximation

Jiri Vanicek, Aurélien Kevin Fabrice Patoz, Tomislav Begusic

To evaluate vibronic spectra beyond the Condon approximation, we extend the on-the-fly ab initio thawed Gaussian approximation by considering the Herzberg–Teller contribution due to the dependence of the electronic transition dipole moment on nuclear coord ...

2018

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Ana Bárbara Rodrigues Cavalcante

The resonant structure of the doubly Cabibbo-suppressed decay D+-> K-K+K+ is studied for the first time. The measurement is based on a sample of pp-collision data, collected at a centre-of-mass energy of 8 TeV with the LHCb detector and corresponding to an ...

Springer Nature2019