Publications related to Contact mechanics at the nanoscale, a 3D multiscale approach

Related publications (26)

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

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

A mechanistic model for the growth of cylindrical debris particles in the presence of adhesion

Jean-François Molinari, Enrico Milanese

The wear volume is known to keep increasing during frictional processes, and Archard notably proposed a model to describe the probability of wear particle formation upon asperity collision in a two-body contact configuration. While this model is largely ad ...

PERGAMON-ELSEVIER SCIENCE LTD2020

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

A priori error for unilateral contact problems with Lagrange multipliers and isogeometric analysis

Annalisa Buffa, Pablo Antolin Sanchez, Mathieu Jonathan Fabre

In this paper, we consider unilateral contact problem without friction between a rigid body and deformable one in the framework of isogeometric analysis. We present the theoretical analysis of the mixed problem. For the displacement, we use the pushforward ...

2019

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

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

Ion heating and flows in a high power helicon source

Ivo Furno, Alan Howling, Rémy Jacquier, Riccardo Agnello, Gennady Plyushchev

We report experimental measurements of ion temperatures and flows in a high power, linear, magnetized, helicon plasma device, the Resonant Antenna Ion Device (RAID). Parallel and perpendicular ion temperatures on the order of 0.6 eV are observed for an rf ...

Amer Inst Physics2017

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

The Geometric Nature of the Flaschka Transformation

Tudor Ratiu, François Gay-Balmaz

We show that the Flaschka map, originally introduced to analyze the dynamics of the integrable Toda lattice system, is the inverse of a momentum map. We discuss the geometrical setting of the map and apply it to the generalized Toda lattice systems on semi ...

Springer Verlag2017

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

Effect of static and kinematic boundary conditions on the out-of-plane response of brick masonry walls

Katrin Beyer

The Unreinforced Wall (URM) elements that are most susceptible to out-of-plane failure are wall elements of the upper storeys where the accelerations are largest. In modern URM buildings with reinforced concrete slabs, the out-of-plane mechanism involves t ...

Taylor and Francis Group2016

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