Person

Daniele Passerone

Related publications (11)

Asymmetric Elimination Reaction on Chiral Metal Surfaces

Harald Brune, Roland Widmer, Martina Danese, Daniele Passerone, Samuel Thomas Stolz

The production of enantiopure materials and molecules is of uttermost relevance in research and industry in numerous contexts, ranging from nonlinear optics to asymmetric synthesis. In the context of the latter, dehalogenation, which is an essential reacti ...

WILEY-V C H VERLAG GMBH2021

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Materials Cloud is a platform designed to enable open and seamless sharing of resources for computational science, driven by applications in materials modelling. It hosts (1) archival and dissemination services for raw and curated data, together with their ...

2020

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We present a joint theoretical and experimental study of the oxygen K-edge spectra for LaFeO3 and homovalent Ni-substituted LaFeO3 (LaFe0.75Ni0.25O3), using first-principles simulations based on density-functional theory with extended Hubbard functionals a ...

AMER PHYSICAL SOC2020

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Edge dislocations are frequently found in epitaxial BiFeO3 multiferroic thin films and are expected to exhibit distinctive and localized magnetoelectric properties. However, an exhaustive characterization of these dislocations at the atomic level has to da ...

AMER PHYSICAL SOC2019

We study the band gap of finite NA=7 armchair graphene nanoribbons (7-AGNRs) on Au(111) through scanning tunneling microscopy/spectroscopy combined with density functional theory calculations. The band gap of 7-AGNRs with lengths of 8 nm and more is conver ...

WILEY-V C H VERLAG GMBH2019

Open-Shell Nonbenzenoid Nanographenes Containing Two Pairs of Pentagonal and Heptagonal Rings

Alberto Fabrizio, Daniele Passerone

Nonbenzenoid carbocyclic rings are postulated to serve as important structural elements toward tuning the chemical and electronic properties of extended polycyclic aromatic hydrocarbons (PAHs, or namely nanographenes), necessitating a rational and atomical ...

AMER CHEMICAL SOC2019

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Local measurements of the oxidation state of vanadium in monoclinic BiVO4 particles by means of electron energy-loss spectroscopy in scanning transmission electron microscopy reveal a pronounced surface reduction: within a 5-nm-thick shell, the oxidation s ...

Amer Chemical Soc2015

Ensemble Effect Evidenced by CO Adsorption on the 3-Fold PdGa Surfaces

Harald Brune, Roland Widmer, Daniele Passerone, Jan Prinz

The atomic structure and composition of a catalyst's surface have a major influence on its performance regarding activity and selectivity. In this respect, intermetallic compounds are promising future catalyst materials, as their surfaces exhibit small and ...

Amer Chemical Soc2014

Adsorption of Small Hydrocarbons on the Three-Fold PdGa Surfaces: The Road to Selective Hydrogenation

Harald Brune, Roland Widmer, Daniele Passerone, Jan Prinz

Intermetallic compounds are a promising class of materials as stable and selective heterogeneous catalysts. Here, the (111) and (-1-1-1) single crystal surfaces of the PdGa intermetallic compound were studied as model catalysts with regard to the selective ...

American Chemical Society2014

Interface-confined mixing and buried partial dislocations for Ag bilayer on Pt(111)

Harald Brune, Daniele Passerone

The trigonal strain-relief pattern formed by an Ag bilayer on Pt(111) is a prominent example for dislocation networks and their use as nanotemplates. However, its atomic structure has not been solved. Combining scanning tunneling microscopy, low-energy ion ...

Amer Physical Soc2012

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