Publication

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

Publications associées (410)

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

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

Engineering of chitosan-based derivatives for non-viral gene delivery

Laura Camille Louise Nicolle

Gene therapy offers the possibility to treat or even cure diseases originating from genetic defects by introducing a therapeutic gene in target cells or correcting the initial defective gene. Amongst different options, non-viral vectors rely on the deliver ...

EPFL2022

N-coordinated bimetallic defect-rich nanocarbons as highly efficient electrocatalysts in advanced energy conversion applications

Ulf Anders Hagfeldt, Sining Yun

Defect engineering in heterostructured carbon-based electrode materials has evolved as an emerging strategy to boost the electrocatalytic activity. Herein, a facile single-step route is reported to synthesize novel N-coordinated bimetal doped graphitic car ...

ELSEVIER SCIENCE SA2022

In-silico zein/tannic acid colloidal nanoparticles and their activity at oil and water interface of Pickering emulsion using molecular dynamics simulation

Niloufar Sharif

The computational method was used to explain the activity of zein-based colloidal nanoparticles at inter-face between water and oil phases. The alpha-zein/tannic acid colloidal nanoparticles (ZTPs) were made using three steps including dissolving alpha-zei ...

ELSEVIER2022

Phase transition of layer-stacked borophene under pressure

Oleg Yazyev, Quansheng Wu, Xiao Dong

The 8-Pmmn borophene, a boron analog of graphene, hosts tilted and anisotropic massless Dirac fermion quasiparticles owing to the presence of a distorted graphenelike sublattice. First-principles calculations show that stacked 8-Pmmn borophene is transform ...

AMER PHYSICAL SOC2022

Competing Effects of Hydration and Cation Complexation in Single-Chain Alginate

Alginic acid, a naturally occurring anionic polyelectrolyte, forms strong physically cross-linked hydrogels in the presence of metal cations. The latter engage in electrostatic interactions that compete with intra- and intermolecular hydrogen bonds, determ ...

2022

Heterometallic uranium/molybdenum nitride synthesis via partial N-atom transfer

Rosario Scopelliti, Marinella Mazzanti, Luciano Barluzzi, Nadir Jori

The reaction of a terminal Mo(II) nitride with a U(III) complex yields an heterodimetallic U-Mo nitride which is the first example of a transition metal-capped uranium nitride. The nitride is triply bonded to U(V) and singly bonded to Mo(0) and supports a ...

2022

Chemo- and regio-divergent access to fluorinated 1-alkyl and 1-acyl triazenes from alkynyl triazenes

Kay Severin, Nicolai Cramer, Carl Thomas Bormann, Jin Fay Tan

The 1,1,2,2-tetrafluoroethylene unit is prevalent in bioactive molecules and functional materials. Despite being in principle a straightforward strategy to access this motif, the direct tetrafluorination of alkynes involves very hazardous or inconvenient r ...

2022

Atomic Level Insights of Non-Noble Metal Catalysts for the Oxygen Evolution Reaction

Lichen Bai

The conversion of intermittent renewable energy resources in the form of chemical bond, such as hydrogen production from electrochemical water splitting, is a promising way to satisfy the future global energy demand and address the environmental issues. Th ...

EPFL2021

Structural and analytical identifications of biomolecules by cold ion spectroscopy of non-covalent complexes

Erik Saparbayev

Non-covalent interactions are ubiquitous in nature. The diversity and functionality of these interactions are employed by nature as a universal tool for building the molecular mechanism of life. Although weak, these interactions play a key role in both for ...

EPFL2021

Graph Chatbot

Chattez avec Graph Search

Posez n’importe quelle question sur les cours, conférences, exercices, recherches, actualités, etc. de l’EPFL ou essayez les exemples de questions ci-dessous.

AVERTISSEMENT : Le chatbot Graph n'est pas programmé pour fournir des réponses explicites ou catégoriques à vos questions. Il transforme plutôt vos questions en demandes API qui sont distribuées aux différents services informatiques officiellement administrés par l'EPFL. Son but est uniquement de collecter et de recommander des références pertinentes à des contenus que vous pouvez explorer pour vous aider à répondre à vos questions.

Connectez-vous pour utiliser Chat avec Graph Search