Publication

Enantioselective (CpRhIII)-Rh-x-Catalyzed Carboaminations of Acrylates

Publications associées (34)

Atomic-scale Characterization of Strain and Gate effects on Two-dimensional Materials by Scanning Tunneling Microscopy

Strain is an inevitable phenomenon in two-dimensional (2D) material, regardless of whether the film is suspended or supported. Moreover, strain is known to alter the physical and chemical properties, such as the band gap, charge carrier effective masses, d ...

EPFL2023

Stabilizing Unusual Oxidation States of Lanthanides in Molecular Complexes: Synthesis, Properties, and Reactivity

Aurélien René Willauer

The chemistry of divalent lanthanides has generated increasing interest in the past years due to their redox properties and unique reaction pathways. Notably, molecular complexes of low-valent lanthanides have been shown to be suitable one-electron reducta ...

EPFL2022

Rapid Gas Transport from Block-Copolymer Templated Nanoporous Carbon Films

Kumar Varoon Agrawal, Kuang-Jung Hsu, Marina Micari, Xuekui Duan, Luis Francisco Villalobos Vazquez de la Parra, Mostapha Dakhchoune, Jing Zhao

Porous carbon films, attributed to their superior thermal and chemical robustness, are attractive for a number of applications. In the context of molecular separation, a major focus has been on films where the effective pore diameter is lower than 1 nm, e. ...

AMER CHEMICAL SOC2021

Advancing computational and data-driven methods for the design and discovery of nanoporous materials

Seyedmohamad Moosavi

Metal-organic framework (MOFs) and related nanoporous materials have emerged as promising candidates for a variety of applications, such as gas separation and storage, catalysis, sensing, etc. Their building block structure allows us to generate a huge num ...

EPFL2020

Thermomechanical Nanostraining of Two-Dimensional Materials

Jürgen Brugger, Giovanni Boero, Xia Liu, Ana Conde Rubio, Samuel Tobias Howell

Local bandgap tuning in two-dimensional (2D) materials is of significant importance for electronic and optoelectronic devices but achieving controllable and reproducible strain engineering at the nanoscale remains a challenge. Here, we report on thermomech ...

2020

Automated high-throughput Wannierisation

Nicola Marzari, Giovanni Pizzi, Antimo Marrazzo

Maximally-localised Wannier functions (MLWFs) are routinely used to compute from first-principles advanced materials properties that require very dense Brillouin zone integration and to build accurate tight-binding models for scale-bridging simulations. At ...

2020

A Low-Parametric Rhombic Microstructure Family for Irregular Lattices

New fabrication technologies have significantly decreased the cost of fabrication of shapes with highly complex geometric structure. One important application of complex fine-scale geometric structures is to create variable effective elastic material prope ...

ASSOC COMPUTING MACHINERY2020

Water: its influence on the formation and crystallization of amorphous calcium carbonate

Huachuan Du

Nature produces CaCO3-based materials that display fascinating mechanical properties. These properties are a result of the exquisite control over the formation of CaCO3 crystals that nature possesses. Such a high level of control is likely achieved, at lea ...

EPFL2019

Micro-mechanics of 3D architectured metals synthesized by electrodeposition

Maxime Alain Baptiste Mieszala

Cellular metallic materials have emerged as a new promising class of materials due to their lightweight porous structures and advanced multi-functional properties. Originally limited to random metallic foams, modern lithography techniques have enabled the ...

EPFL2018

Extending the Scope of the Density Overlap Region Indicator

Laurent Alexis Clément Vannay

In this thesis, original applications of the Density Overlap Region Indicator (DORI), a density dependent bonding descriptor capable of simultaneously capturing covalent and noncovalent interactions, are discussed. The use of scalar fields, such as DORI, w ...

EPFL2018

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