Publications associées à Medium range structure of tetrahedrally-bonded glasses through the first principles investigation of Raman spectra

Publications associées (8)

Observation of the most H2-dense filled ice under high pressure

Richard Gaal, Livia Eleonora Bove Kado, Lorenzo Monacelli, Maria Rescigno

Hydrogen hydrates are among the basic constituents of our solar system's outer planets, some of their moons, as well Neptune-like exo-planets. The details of their high-pressure phases and their thermodynamic conditions of formation and stability are funda ...

National Academy of Sciences2023

Tuning the reactivity of uranium towards small molecules in multimetallic complexes

Nadir Jori

One of the main goals of organometallic chemistry in the last decades was the activation of small molecule in mild reaction conditions. Even though multiple examples of catalytic cycles able to produce fine chemicals from cheap and abundant sources using t ...

EPFL2023

Charging and Electric Field Effects on Hydrogen Molecules Physisorbed on Graphene

Klaus Kern, Shai Mangel, Alessio Scavuzzo, Tobias Wollandt

Molecular hydrogen adsorbed on graphene was investigated by analyzing rotational excitation spectra obtained with a gate-tunable scanning tunneling microscope (STM). Through the shift of the rotational excitation energy, the tunability of physisorbed H2 on ...

AMER CHEMICAL SOC2023

Isotope Effects on the Electronic Spectra of Ammonia from Ab Initio Semiclassical Dynamics

Jiri Vanicek, Yannick Calvino Alonso, Eriks Kletnieks

Despite its simplicity, the single-trajectory thawed Gaussian approximation has proven useful for calculating the vibrationally resolved electronic spectra of molecules with weakly anharmonic potential energy surfaces. Here, we show that the thawed Gaussia ...

2023

Effect of femtosecond laser-induced high pressure on fused silica polymorphism

Arunkrishnan Radhakrishnan

High-pressure studies in silica are of great interest to earth and planetary sciences. Highpressure phases are rarely found in nature as a result of shock events like meteorite impacts or volcanic events in nature. Recreating these phases remains a challen ...

EPFL2022

Extremely large magnetoresistance in the "ordinary" metal ReO3

Oleg Yazyev, Quansheng Wu, Shengnan Zhang

The extremely large magnetoresistance (XMR) observed in many topologically nontrivial and trivial semimetals has attracted much attention in relation to its underlying physical mechanism. In this paper, by combining the band structure and Fermi surface (FS ...

AMER PHYSICAL SOC2021

Dopant-Free Hole-Transport Materials with Germanium Compounds Bearing Pseudohalide and Chalcogenide Moieties for Perovskite Solar Cells

Ulf Anders Hagfeldt, Natalie Flores Diaz

Hole-transport materials (HTMs) are key electronic components for the functioning of perovskite solar cells (PSCs) as they extract the photogenerated holes from the perovskite to be transported subsequently to the back electrode while minimizing the loss f ...

AMER CHEMICAL SOC2020

Improved Alkali Intercalation of Carbonaceous Materials in Ammonia Solution

László Forró, Bálint Náfrádi, Péter Szirmai, Ferenc Simon

Alkali-intercalated graphite compounds represent a compelling modification of carbon with significant application potential and various fundamentally important phases. The intercalation of graphite with alkali atoms (Li and K) using liquid ammonia solution ...

WILEY-V C H VERLAG GMBH2019