Publications related to Contact mechanics with a multiscale approach

Related publications (30)

Photochemical [2+2] Cycloaddition of Alkynyl Boronates

A photochemical [2+2] cycloaddition of alkynyl boronates and maleimides is reported. The developed protocol provided 35–70 % yield of maleimide-derived cyclobutenyl boronates and demonstrated wide compatibility with various functional groups. The synthetic ...

2023

Friction and fracture: richness and complexity in dynamic rupture

Thibault Didier Roch

Understanding how things break and slide is of paramount importance to describe the dynamics of a broad range of physical systems. This includes day-to-day problems such as the breaking of a glass of wine or the sliding of skis on snow, but also engineerin ...

EPFL2023

3PAC: A Plug-and-Play System for Distributed Power Sharing and Communication in Modular Robots

Jamie Paik, Christoph Heinrich Belke, Kevin Andrew Holdcroft

In modular robotics, there is classically a compromise between coupling complexity and functionality. The mechanical and electrical designs are linked, such that adding electrical features often requires redesigning the mechanical components. However, incr ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2022

Fluorene-based enamines as low-cost and dopant-free hole transporting materials for high performance and stable perovskite solar cells

Mohammad Khaja Nazeeruddin, Kasparas Rakstys, Albertus Adrian Sutanto, Maria Cristina Momblona Rincón

The power conversion efficiency of perovskite solar cells is approaching the Shockley-Queisser limit, and therefore this technology is next to the commercialization stage. Inexpensive and stable hole transporting materials are highly desirable for the succ ...

Royal Society of Chemistry2021

Functionalization of remote C(sp3)-H bonds enabled by copper-catalyzed coupling of O-acyloximes with terminal alkynes

Jieping Zhu, Qian Wang, Ruben Omar Torres Ochoa, Zhaodong Li

Transition metal catalyzed Sonogashira cross-coupling of terminal alkynes with aryl(vinyl) (pseudo)halides has been successfully extended to alkyl halides for the synthesis of functionalized internal alkynes. The direct alkynylation of remote unfunctionali ...

Nature Research2020

Enantioselective C(sp(3))-C(sp(3)) cross-coupling of non-activated alkyl electrophiles via nickel hydride catalysis

Xile Hu, Runze Mao, Srikrishna Bera

Cross-coupling of two alkyl fragments is an efficient method to produce organic molecules rich in sp(3)-hybridized carbon centres, which are attractive candidate compounds in drug discovery. Enantioselective C(sp(3))-C(sp(3)) coupling is challenging, espec ...

2020

Synthetic methodologies for C-C and C-N bond formation involving alkyl radicals

Guido Barzanò

C-C and C-N bonds are some of the most common structures in molecules ranging from drugs to catalysts and to food additives. Many coupling reactions were developed to form these types of bonds with excellent selectivity and good performance. Still, the syn ...

EPFL2020

Data Mining the C-C Cross-Coupling Genome

Anne-Clémence Corminboeuf, Matthew Wodrich, Alberto Fabrizio, Benjamin André René Meyer, Boodsarin Sawatlon

The speed and precision of machine-learning (ML) techniques in determining quantum chemical properties has resulted in a considerable computational speed up in comparison to traditional quantum chemical methods, and now allows a desired property of thousan ...

Wiley-VCH Verlag2019

Remote C(sp(3))-H Arylation and Vinylation of N-Alkoxypyridinium Salts to delta-Aryl and delta-Vinyl Alcohols

Qian Wang, Jieping Zhu, Xu Bao

The reaction of readily available and bench-stable N-alkoxypyridinium salts with arylboronic and vinylboronic acids afforded delta-aryl and delta-vinyl alcohols, respectively, in the presence of fac-Ir(ppy)(3) and Cu(OTf)(2) dual catalysts. The reaction ta ...

WILEY-V C H VERLAG GMBH2019

Nickamine and Analogous Nickel Pincer Catalysts for Cross-Coupling of Alkyl Halides and Hydrosilylation of Alkenes

Xile Hu, Zhikun Zhang, Renyi Shi

CONSPECTUS: Ligand development plays an essential role in the advance of homogeneous catalysis. Tridentate, meridionally coordinating ligands, commonly termed pincer ligands, have been established as a privileged class of ligands in catalysis because they ...

American Chemical Society2019

Stereoselective synthesis of alkyl-, aryl-, vinyl- and alkynyl-substituted Z-enamides and enol ethers

Jérôme Waser, Matthew Wodrich, Paola Caramenti, Nina Declas, Romain Gaëtan Tessier

Enamides and enol ethers are valuable building blocks in synthetic chemistry, yet their stereoselective synthesis can be challenging. Herein, we report a new stereoselective synthesis of vinyl, aryl, alkynyl, alkyl and thio-substituted Z-enamides and enol ...

2019

Contributions to the Chemistry of N2O and 1-Alkynyltriazenes

Loïc Nicolas Jeanbourquin

This thesis describes the utilization of nitrous oxide N2O as an oxidant in oxidative cou-pling reactions and as a nitrogen atom donor in the synthesis of 1-alkynyltriazene and further reactivity of the latter. An overview of N2O and its reactivity is give ...

EPFL2018

Copper-Catalyzed Arylation of Remote C(sp3 )−H Bonds in Carboxamides and Sulfonamides

Qian Wang, Jieping Zhu, Zhaodong Li

Reported herein is an unprecedented copper-catalyzed arylation of remote C(sp3)-H bonds. Stirring a trifluorotoluene solution of either N fluorocarboxamides or N-fluorosulfonamides and arylboronic acids in the presence of a catalytic amount of copper(II) t ...

Wiley-VCH Verlag GmbH2018

On flexible Green function methods for atomistic/continuum coupling

Max Ludwig Hodapp

Atomistic/continuum (A/C) coupling schemes have been developed during the past twenty years to overcome the vast computational cost of fully atomistic models, but have not yet reached full maturity to address many problems of practical interest. This work ...

EPFL2018

A Generalized Picture of C-C Cross-Coupling

Anne-Clémence Corminboeuf, Matthew Wodrich, Michael Markus Busch

Transition metal catalyzed cross-coupling reactions occupy a privileged position in chemistry because of their ability to link myriad functional groups. The numerous variants of this reaction types (e.g., Suzuki, Kumada, Negishi, etc.) differ in the transm ...

American Chemical Society2017

Color-Selective and Versatile Light Steering with up-Scalable Subwavelength Planar Optics

Olivier Martin, Benjamin Gallinet, Giorgio Quaranta

Resonant waveguide gratings (RWGs) are subwavelength structures of great interest for biosensors, optical filters and optical security applications. We demonstrate and characterize a beam steering device, where the in-coupling and out-coupling processes ma ...

2017

Suzuki-Miyaura cross-coupling of non-activated alkyl halides catalyzed by well-defined nickel pincer complexes

Thomas Clément Di Franco

Metal-catalyzed cross-coupling reactions are powerful and widespread methods for the carbon-carbon bond formation. Among the electrophile partners, non-activated alkyl halides remain challenging substrates because of their reluctance towards oxidative addi ...

EPFL2016

Thieno[3,4-b]pyrazine as an Electron Deficient pi-Bridge in D-A-pi-A DSCs

Michael Graetzel, Mohammad Khaja Nazeeruddin, Aswani Yella

Thieno[3,4-b]pyrazine (TPz) is examined as an electron deficient pi-bridge enabling near-infrared (NIR) spectral access in dye sensitized solar cells (DSCs). Seven dissymmetric dyes for DSCs were synthesized (NL2-NL8) with TPz as the pi-bridge utilizing pa ...

Amer Chemical Soc2016

A simple catalyst for aqueous phase Suzuki reactions based on palladium nanoparticles immobilized on an ionic polymer

Paul Joseph Dyson, Gabor Laurenczy, Zhaofu Fei, Emilia Paunescu

Palladium nanoparticles immobilized on a cross-linked imidazolium-containing polymer were evaluated as a catalyst for Suzuki carbon-carbon cross-coupling reactions using water as the solvent. The nanocatalysts show good catalytic activities for aryl iodide ...

Science Press2016

On-Surface Assembly and Reactions of Organic Molecules in Ultra-High Vacuum

Claudius Morchutt

This thesis comprises the study of two types of 2D materials, those stabilized by non-covalent and those by covalent interactions. They are synthesized and studied on well-defined metallic surfaces in ultra-high vacuum (UHV). The self-assembly of terephtha ...

EPFL2016