Publications associées à Allotropie

The Impact of Lattice Distortions on the Magnetic Stability of Single Atoms: Dy and Ho on BaO(100)

Harald Brune, Stefano Rusponi, Marina Pivetta, Boris Sorokin, Darius Constantin Merk, Sébastien Reynaud

X-ray magnetic circular dichroism, atomic multiplet simulations, and density functional theory calculations are employed to identify criteria for the optimum combination of supporting alkaline earth oxide and adsorption site maximizing the spin lifetimes o ...

WILEY-V C H VERLAG GMBH2023

Gas Separation Membranes with Atom-Thick Nanopores: The Potential of Nanoporous Single-Layer Graphene

Kumar Varoon Agrawal, Kuang-Jung Hsu, Cédric Karel J Van Goethem, Luis Francisco Villalobos Vazquez de la Parra, Deepu Joseph Babu

Gas separation is one of the most important industrial processes and is poised to take a larger role in the transition to renewable energy, e.g., carbon capture and hydrogen purification. Conventional gas separation processes involving cryogenic distillati ...

AMER CHEMICAL SOC2022

Quantum vibronic effects on the electronic properties of solid and molecular carbon

Michele Ceriotti, François Gygi, Han Yang

We study the effect of quantum vibronic coupling on the electronic properties of carbon allotropes, including molecules and solids, by combining path integral first principles molecular dynamics (FPMD) with a colored noise thermostat. In addition to avoidi ...

AMER PHYSICAL SOC2021

Optical gap and fundamental gap of oligoynes and carbyne

Holger Frauenrath, Jan Cornelius Brauer, Stephen Schrettl, Laurent Alexis Clément Vannay, Eric Albert Georges Bremond, Emmanuel Romaric Contal

The optoelectronic properties of various carbon allotropes and nanomaterials have been well established, while the purely sp-hybridized carbyne remains synthetically inaccessible. Its properties have therefore frequently been extrapolated from those of def ...

2020

Structural, electronic, elastic, power, and transport properties of beta-Ga2O3 from first principles

Samuel Poncé, Feliciano Giustino

We investigate the structural, electronic, vibrational, power, and transport properties of the beta allotrope of Ga2O3 from first principles. We find phonon frequencies and elastic constants that reproduce the correct band ordering, in agreement with exper ...

AMER PHYSICAL SOC2020

Multiphase magnetism in Yb2Ti2O7

Gregory Scott Tucker

We use neutron scattering to show that ferromagnetism and antiferromagnetism coexist in the low T state of the pyrochlore quantum magnet Yb2Ti2O7. While magnetic Bragg peaks evidence long-range static ferromagnetic order, inelastic scattering shows that sh ...

NATL ACAD SCIENCES2020

Polybenzimidazole copolymer derived lacey carbon film for graphene transfer and contamination removal strategies for imaging graphene nanopores

Kumar Varoon Agrawal, Luis Francisco Villalobos Vazquez de la Parra, Mostapha Dakhchoune, Shiqi Huang, Guangwei He, Wan-Chi Lee

The study of the nanometer-scale vacancy defects (nanopores) in graphene by transmission electron microscopy (TEM) is severely hindered by the presence of polymeric residues originating from the graphene-transfer-step to the TEM grid. The state-of-the-art ...

2020

Cu-Sn-S system: Vibrational properties and coexistence of the Cu2SnS3, Cu3SnS4 and Cu4SnS4 compounds

Andrew Wayne Fairbrother

In the present study the transformation between Cu2SnS3, Cu3SnS4 and Cu4SnS4 compounds is analyzed by means of X-ray diffraction and Raman scattering spectroscopy. A detailed analysis of the X-ray diffractograms showed the dependence of formation of the in ...

PERGAMON-ELSEVIER SCIENCE LTD2020

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Allotropie

The Impact of Lattice Distortions on the Magnetic Stability of Single Atoms: Dy and Ho on BaO(100)

Gas Separation Membranes with Atom-Thick Nanopores: The Potential of Nanoporous Single-Layer Graphene

Direct-write laser-induced self-organization and metallization beyond the focal volume in tellurite glass

Quantum vibronic effects on the electronic properties of solid and molecular carbon

Optical gap and fundamental gap of oligoynes and carbyne

TiO2- based ceramics, from basic science to applications

Structural, electronic, elastic, power, and transport properties of beta-Ga2O3 from first principles

Multiphase magnetism in Yb2Ti2O7

Polybenzimidazole copolymer derived lacey carbon film for graphene transfer and contamination removal strategies for imaging graphene nanopores

Cu-Sn-S system: Vibrational properties and coexistence of the Cu2SnS3, Cu3SnS4 and Cu4SnS4 compounds

Graph Chatbot

Chattez avec Graph Search

TiO2- based ceramics, from basic science to applications

Cu-Sn-S system: Vibrational properties and coexistence of the Cu2SnS3, Cu3SnS4 and Cu4SnS4 compounds

Direct-write laser-induced self-organization and metallization beyond the focal volume in tellurite glass

Optical gap and fundamental gap of oligoynes and carbyne

Polybenzimidazole copolymer derived lacey carbon film for graphene transfer and contamination removal strategies for imaging graphene nanopores

The Impact of Lattice Distortions on the Magnetic Stability of Single Atoms: Dy and Ho on BaO(100)

Gas Separation Membranes with Atom-Thick Nanopores: The Potential of Nanoporous Single-Layer Graphene

Multiphase magnetism in Yb2Ti2O7

Structural, electronic, elastic, power, and transport properties of beta-Ga2O3 from first principles