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Publications associées (32)
Data-Intensive Exploration of the Photoelectrochemical Responses of Main-Group Metal Sulfides
Materials that efficiently promote the thermodynamically uphill water-splitting reaction under solar illumination are essential for generating carbon-free ("green") hydrogen. Mapping out the combinatorial space of potential photocatalysts for this reaction ...
Amer Chemical Soc2024Million-scale data integrated deep neural network for phonon properties of heuslers spanning the periodic table
Changpeng Lin, Hong Zhang, Chen Shen, Yong Zhao
Existing machine learning potentials for predicting phonon properties of crystals are typically limited on a material-to-material basis, primarily due to the exponential scaling of model complexity with the number of atomic species. We address this bottlen ...
NATURE PORTFOLIO2023Tuning the reactivity of uranium towards small molecules in multimetallic complexes
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 ...
EPFL2023Plasmonic effects in the neutralization of slow ions at a metallic surface
Secondary electron emission is an important process that plays a significant role in several plasma-related applications. As measuring the secondary electron yield experimentally is very challenging, quantitative modelling of this process to obtain reliabl ...
WILEY-V C H VERLAG GMBH2023A wind tunnel study on cyclic yaw control in a wind farm model
Fernando Porté Agel, Guiyue Duan
Dynamic control strategies, such as dynamic induction control [1], were reported as efficient and beneficial in improving wind farm power production. A recent work based on computational fluid dynamics simulation [2] shows that by controlling wake meanderi ...
2023Inverse-Designed Narrowband THz Radiator for Ultrarelativistic Electrons
Rasmus Ischebeck, Benedikt Hermann
THz radiation finds various applications in science and technology. Pump-probe experiments at free-electron lasers typically rely on THz radiation generated by optical rectification of ultrafast laser pulses in electro-optic crystals. A compact and cost-ef ...
AMER CHEMICAL SOC2022Constructing periodic orbits of high-dimensional chaotic systems by an adjoint-based variational method
Tobias Schneider, Sajjad Azimi, Omid Ashtari
Chaotic dynamics in systems ranging from low-dimensional nonlinear differential equations to high-dimensional spatiotemporal systems including fluid turbulence is supported by nonchaotic, exactly recurring time-periodic solutions of the governing equations ...
2022Modeling the Ga/As binary system across temperatures and compositions from first principles
Michele Ceriotti, Giulio Imbalzano
Materials composed of elements from the third and fifth columns of the periodic table display a very rich behavior, with the phase diagram usually containing a metallic liquid phase and a polar semiconducting solid. As a consequence, it is very hard to ach ...
AMER PHYSICAL SOC2021Electrical transport properties of Ru1-xTixO2 films deposited by magnetron sputtering technique
Rosendo Sanjines, Silviu Cosmin Sandu
The optical and electrical properties of Ru1-xTixO2 (0
PERGAMON-ELSEVIER SCIENCE LTD2021Importance of Long-Range Channel Sr Displacements for the Narrow Emission in Sr[Li2Al2O2N2]:Eu2+ Phosphor
The recently discovered Sr[Li2Al2O2N2]:Eu2+ red phosphor, candidate for the next generation of eco-efficient white light-emitting diodes, exhibits excellent emission spectral position and exceptionally small linewidth. It belongs to the UCr4C4-structure fa ...
WILEY-V C H VERLAG GMBH2021