Publications associées à Manganèse

Microstructure - Electrochemical Surface Reactivity Relationship of Electrochemically Grown Manganese Oxides Films

This Thesis provides a comprehensive and correlative investigation of the microstructure, chemical state, and electrochemical reactivity of manganese oxide (MnOx) films, aiming to gain a deeper understanding of the deposition and dissolution mechanism of M ...

EPFL2024

Orbital-Resolved DFT plus U for Molecules and Solids

Nicola Marzari, Iurii Timrov, Eric Macke

We present an orbital-resolved extension of the Hubbard U correction to density-functional theory (DFT). Compared to the conventional shell-averaged approach, the prediction of energetic, electronic and structural properties is strongly improved, particula ...

Amer Chemical Soc2024

New Applications of 1,3,2-Diazaphospholenes in Catalysis

Johannes Klett

The constant urge to construct new molecules in an economical and sustainable fashion led to the development of numerous metal-catalyzed transformations. Organocatalysts consisting of abundant and more sustainable elements offer an elegant solution to over ...

EPFL2024

Natural aging and vacancy trapping in Al-6xxx

William Curtin, Michele Ceriotti

Undesirable natural aging (NA) in Al-6xxx delays subsequent artificial aging (AA) but the size, composition, and evolution of clustering are challenging to measure. Here, atomistic details of early-stage clustering in Al-1% Mg-0.6%Si during NA are studied ...

Springer Heidelberg2023

Operando identification of a side-on nickel superoxide intermediate and the mechanism of oxygen evolution on nickel oxyhydroxide

Xile Hu, Lichen Bai, Seunghwa Lee

The oxygen evolution reaction (OER) is a key electrochemical reac-tion relevant to energy storage. Ni-containing bimetallic oxyhydrox-ides are among the most active OER catalysts in alkaline medium, but the mechanism of OER on pure Ni oxyhydroxide remains ...

ELSEVIER2023

Origin of the enhanced pseudo-elasticity of additively manufactured Fe-17Mn-5Si-4Ni-10Cr-(V, C) shape memory alloy fabricated by laser powder bed fusion

Christian Leinenbach, Irene Ferretto

This study investigated the origin of the enhanced pseudo-elasticity of additively manufactured vanadium carbide-containing Fe-based shape memory alloys. The aged samples with two different starting microstructures, as-built and solution-treated, showed co ...

Elsevier Science Sa2023

Laser powder bed fusion of Fe-based shape memory alloys for novel structural metamaterials and "smart" structures

Irene Ferretto

Laser powder bed fusion (LPBF) is a powder-based additive manufacturing (AM) technique, which shows great potential in the production of complex-shaped parts with unprecedented design freedom. In addition, it allows for an active manipulation of the micros ...

EPFL2023

Poisoning of Mn-Ce/AC catalysts for low-temperature NH3-SCR of NO by K+ and its counter-ions (Cl- /NO3- /SO42- )

Oliver Kröcher, Davide Ferri, Rob Jeremiah G. Nuguid, Jie Yang

Mn-Ce/AC catalysts for low-temperature NH3-SCR of NOx were deliberately loaded with various potassium salts (KCl, KNO3, and K2SO4) to investigate the influence of the counter-ions on the poisoning impact. Whereas K salts poisoning had only marginal impact ...

ELSEVIER2022

Alpha-Nickel Hydroxide Coating of Metallic Nickel for Enhanced Alkaline Hydrogen Evolution

Yunchang Liang

In this work, alkaline hydrogen evolution reaction (HER) processes of three typical nickel-based electrocatalysts [i.e., Ni, alpha-Ni(OH)(2), and beta-Ni(OH)(2)] were investigated to probe critical factors that determine the activity and durability. The HE ...

WILEY-V C H VERLAG GMBH2022

Pivotal Role of Intersite Hubbard Interactions in Fe-Doped alpha-MnO2

Iurii Timrov

We present a first-principles investigation of the structural, electronic, and magnetic properties of the pristine and Fe-doped alpha-MnO2 using density-functional theory with extended Hubbard functionals. The onsite U and intersite V Hubbard parameters ar ...

AMER CHEMICAL SOC2022