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Concept

Non-métal

Publications associées (27)

Massively parallel molecular dynamics simulation of formation of clathrate-hydrate precursors at planar water-methane interfaces: Insights into heterogeneous nucleation

Simone Meloni

The formation of methane-hydrate precursors at large planar water-methane interfaces has been studied using massively parallel molecular dynamics in systems of varying size from around 10 000 to almost 7 x 10(6) molecules. This process took two distinct st ...

Amer Inst Physics2014

Equation of state of lead from high-pressure neutron diffraction up to 8.9 GPa and its implication for the NaCl pressure scale

Jonathan White

From high-resolution neutron-diffraction experiments we present equation-of-state (EOS) data of elemental lead as functions of both temperature (80-298 K) and applied pressure (up to 8.9 GPa), with the pressure values derived from the NaCl pressure gauge. ...

Amer Physical Soc2014

Fast and Highly Chemoselective Alkynylation of Thiols with Hypervalent Iodine Reagents Enabled through a Low Energy Barrier Concerted Mechanism

Jérôme Waser, Matthew Wodrich, Reto Frei, Durga Prasada Rao Hari

Among all functional groups, alkynes occupy a privileged position in synthetic and medicinal chemistry, chemical biology, and materials science. Thioalkynes, in particular, are highly useful, as they combine the enhanced reactivity of the triple bond with ...

2014

Amphoteric defects in GaAs leading to Fermi-level pinning: A hybrid functional study

Alfredo Pasquarello, Davide Colleoni

Formation energies and charge transition levels of amphoteric defects in GaAs giving rise to Fermi-level pinning are calculated with hybrid functionals. The hybrid functional results indicate that previously identified defects involving the bistable nature ...

Elsevier2013

Multiferroicity in the geometrically frustrated FeTe2O5Cl

Helmuth Berger

The layered FeTe2O5Cl compound was studied by specific-heat, muon-spin relaxation, nuclear magnetic resonance, and dielectric as well as neutron and synchrotron x-ray diffraction measurements, and the results were compared to isostructural FeTe2O5Br. We fi ...

Amer Physical Soc2013

Revealing and Accelerating Slow Electron Transport in Amorphous Molybdenum Sulphide Particles for Hydrogen Evolution Reaction

Michael Graetzel, Xile Hu, Thomas Moehl, Heron Vrubel

Electrochemical impedance spectroscopy is used to identify a slow electron transport process in hydrogen evolution catalysed by amorphous molybdenum sulphides on glassy carbon. A new chemical synthesis leads to an amorphous molybdenum sulfide catalyst with ...

Royal Society of Chemistry2013

Growth and characterization of fullerene nanocrystals on NaCl/Au(111)

Wolf-Dieter Schneider, François Patthey, Marina Pivetta, Elizabeta Cavar

The growth of fullerene nanocrystals, composed of only C-60, only C-70, or a mixture of both fullerenes, has been investigated by scanning tunneling microscopy (STM). The nanocrystals, formed on a NaCl ultrathin layer partially covering a Au(111) surface, ...

2011