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Engaging 1-Alkynyl Triazenes in Transition Metal-Catalyzed and Fluorinative Transformations

Jin Fay Tan

Triazenes have garnered great attention for their anti-cancer properties and versatility in organic chemistry. Recently, a novel synthesis of 1-alkynyl triazenes was reported. This thesis describes the compatibility, reactivity and applications of 1-alkyny ...

EPFL2021

Thermomechanical properties of honeycomb lattices from internal-coordinates potentials: the case of graphene and hexagonal boron nitride

Nicola Marzari, Francesco Libbi

Lattice dynamics in low-dimensional materials and, in particular, the quadratic behaviour of the flexural acoustic modes play a fundamental role in their thermomechanical properties. A first-principles evaluation of these can be very demanding, and can be ...

IOP PUBLISHING LTD2021

Local stiffness and work function variations of hexagonal boron nitride on Cu(111)

Klaus Kern, Markus Ternes, Abhishek Grewal

Combined scanning tunnelling and atomic force microscopy using a qPlus sensor enables the measurement of electronic and mechanic properties of two-dimensional materials at the nanoscale. In this work, we study hexagonal boron nitride (h-BN), an atomically ...

BEILSTEIN-INSTITUT2021

Stepwise Reduction of Dinitrogen by a Uranium-Potassium Complex Yielding a U(VI)/U(IV) Tetranitride Cluster

Marinella Mazzanti, Farzaneh Fadaei Tirani, Ivica Zivkovic, Luciano Barluzzi, Nadir Jori

Multimetallic cooperativity is believed to play a key role in the cleavage of dinitrogen to nitrides (N3-), but the mechanism remains ambiguous due to the lack of isolated intermediates. Herein, we report the reduction of the complex [K-2{[U-V(OSi((OBu)-Bu ...

2021

Exploring the origin of low-metallicity stars in Milky-Way-like galaxies with the NIHAO-UHD simulations

Pascale Jablonka

The kinematics of the most metal-poor stars provide a window into the early formation and accretion history of the Milky Way (MW). Here, we use five high-resolution cosmological zoom-in simulations (similar to 5 x 10(6) star particles) of MW-like galaxies ...

OXFORD UNIV PRESS2021

Visible light photoredox-catalysed remote C-H functionalisation enabled by 1,5-hydrogen atom transfer (1,5-HAT)

Qian Wang, Jieping Zhu, Weisi Guo

The generation of heteroatom-centred radicals (X), followed by intramolecular 1,5-hydrogen atom transfer (1,5-HAT) and the functionalisation of the translocated carbon-centred radicals, is the basic mechanism of the classic Hofmann-Loffler-Freytag (HLF) re ...

Royal Society of Chemistry2021

The Pristine Inner Galaxy Survey (PIGS) III: carbon-enhanced metal-poor stars in the bulge

Pascale Jablonka, Carmela Lardo

The most metal-deficient stars hold important clues about the early buildup and chemical evolution of the Milky Way, and carbon-enhanced metal-poor (CEMP) stars are of special interest. However, little is known about CEMP stars in the Galactic bulge. In th ...

OXFORD UNIV PRESS2021

Cd-113 Solid-State NMR at 21.1 T Reveals the Local Structure and Passivation Mechanism of Cadmium in Hybrid and All-Inorganic Halide Perovskites

David Lyndon Emsley, Dominik Józef Kubicki, Albert Hofstetter, Daniel Prochowicz, Brennan James Walder

Cadmium doping has recently emerged as an efficacious strategy for defect suppression and band gap tuning in hybrid as well as all-inorganic halide perovskites. However, the cadmium speciation in these materials is unknown. Here, we use high-field cadmium- ...

2020

Nano-imaging trace elements at organelle levels in substantia nigra overexpressing alpha-synuclein to model Parkinson's disease

Bernard Schneider, Graham Knott, Philippe Colin

Sub-cellular trace element quantifications of nano-heterogeneities in brain tissues offer unprecedented ways to explore at elemental level the interplay between cellular compartments in neurodegenerative pathologies. We designed a quasi-correlative method ...

NATURE PUBLISHING GROUP2020

Dynamics of excited interlayer states in hexagonal boron nitride monolayers

Josef Andreas Schuler, Silvan Dino Marcos Roth

Hexagonal boron nitride () is the isoelectronic but insulating counterpart of graphene. Like graphene it can easily be grown as high-quality nanotubes or as single layers on metal surfaces. Both materials can be exfoliated or transferred after single-layer ...

2020

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Cd-113 Solid-State NMR at 21.1 T Reveals the Local Structure and Passivation Mechanism of Cadmium in Hybrid and All-Inorganic Halide Perovskites

David Lyndon Emsley, Dominik Józef Kubicki, Albert Hofstetter, Daniel Prochowicz, Brennan James Walder

2020

Thermomechanical properties of honeycomb lattices from internal-coordinates potentials: the case of graphene and hexagonal boron nitride

Nicola Marzari, Francesco Libbi

IOP PUBLISHING LTD2021

Nano-imaging trace elements at organelle levels in substantia nigra overexpressing alpha-synuclein to model Parkinson's disease

Bernard Schneider, Graham Knott, Philippe Colin

NATURE PUBLISHING GROUP2020