Publications associées à Chalcogène

Phase-stable indium sulfide achieves an energy conversion efficiency of 14.3% for solar-assisted carbon dioxide reduction to formate

Michael Graetzel, Jing Gao, Jingshan Luo, Xiaoyu Zhang, Jun Li, Qixing Zhang

Tremendous efforts have been made in developing highly selective catalysts for electrochemical CO 2 conversion to formate. However, the rapid deactivation resulting from structural reconstruction and phase transition poses considerable challenges to the sy ...

Cell Press2024

Chalcogen bonding catalysis

Jieping Zhu

Catalysts play a major role in chemical synthesis, and catalysis is considered to be a green and economic process. Catalysis is dominated by covalent interactions between the catalyst and substrate. The design of non-covalent catalysts came into limelight ...

Royal Society of Chemistry2024

Formation Mechanism of Elemental Te Produced in Tellurite Glass Systems by Femtosecond Laser Irradiation

Yves Bellouard, Gözden Torun

The formation of elemental trigonal tellurium (t-Te) on tellurite glass surfaces exposed to femtosecond laser pulses is discussed. Specifically, the underlying elemental crystallization phenomenon is investigated by altering laser parameters in common tell ...

Wiley2023

Murunskite - a new class of functional material

Davor Tolj

The subject of the present work is discovery and in-depth characterization of a new class of functional materials. Tuning of the bond polarity and orbital occupation with a goal of establishing balance between localization and delocalization of electrons - ...

EPFL2023

Femtosecond laser-induced modifications and self-organization in complex glass systems

Gözden Torun

Ultrashort laser pulses, i.e., pulses emitted shorter than a picosecond, can tailor material properties by introducing permanent modifications locally in three dimensions. Remarkably, under a certain exposure condition, these modifications are accompanied ...

EPFL2023

Noncollinear DFT plus U and Hubbard parameters with fully relativistic ultrasoft pseudopotentials

Nicola Marzari, Luca Binci

The magnetic, noncollinear parametrization of Dudarev's DFT + U method is generalized to fully relativistic ultrasoft pseudopotentials. We present the definition of the DFT + U total energy functional and the calculation of forces and stresses in the case ...

Amer Physical Soc2023

Assessing the persistence of chalcogen bonds in solution with neural network potentials

Rubén Laplaza Solanas, Anne-Clémence Corminboeuf, Frédéric Célerse, Veronika Juraskova

Non-covalent bonding patterns are commonly harvested as a design principle in the field of catalysis, supramolecular chemistry, and functional materials to name a few. Yet, their computational description generally neglects finite temperature and environme ...

2022

Investigation of femtosecond laser-enabled 3D micro-infiltration processes

Enrico Casamenti

In the last decades, the femtosecond laser micromachining of glass has attracted a lot of attention due to its three-dimensional manufacturing ability and flexibility both in terms of compatible substrates and modification types. Yet, to fully unravel its ...

EPFL2022

Tailoring the redox-active transition metal content to enhance cycling stability in cation-disordered rock-salt oxides

Corsin Battaglia, Chunyang Zhang, Yong Yang, Yining Li

Lithium-excess cation-disordered rock-salt oxides (DRXs) are investigated intensively as cathode materials for future lithium-ion batteries combining cationic and anionic redox reactions. However, the lattice oxygen redox can cause severe oxygen release re ...

ELSEVIER2021

Direct-write laser-induced self-organization and metallization beyond the focal volume in tellurite glass

Yves Bellouard, Gözden Torun

We report on a self-organized process initiated on a potassium-tungsten-tellurite glass surface under repetitive femtosecond laser irradiation in a regime where cumulative effects lead to a localized melting. Specifically, we show that self-organized perio ...

2021