NEWS

Small-pore hydridic frameworks store densely packed hydrogen

Nanoporous materials have attracted great attention for gas storage, but achieving high volumetric storage capacity remains a challenge. Here, by...
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Capter l’hydrogène de manière plus compacte

L’hydrogène, solution d’avenir notamment pour une mobilité plus verte ? Oui, si son stockage n’était pas aussi compliqué (volumes...
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Chiral Isochalcogenourea-Catalysed Enantioselective...

Allenoates are versatile building blocks which are primarily activated and controlled using chiral tert. phosphine and tert. amine Lewis bases. We...
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Ionic Liquids for Non-Aqueous Redox Flow Batteries

Elucidating the Iron-Based Ionic Liquid [C4py][FeCl4]: Structural Insights and Potential for Nonaqueous Redox Flow Batteries In this study, a...
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Non-identical moiré twins in bilayer graphene

The superlattice obtained by aligning a monolayer graphene and boron nitride (BN) inherits from the hexagonal lattice a sixty degrees periodicity...
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Simplified quantum chemistry methods to evaluate...

This review presents the theoretical background concerning simplified quantum chemistry (sQC) methods to compute non-linear optical (NLO)...
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A “gold standard” for computational materials science...

How to verify the precision of density-functional-theory implementations via reproducible and universal workflows Density-functional theory...
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Phonon Self-Energy Corrections: To Screen, or Not to Screen

Phonons are collective atomic vibrations in crystals that govern many physical phenomena ranging from electrical and thermal transport to...
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MT 180: une doctorante UCLouvain sur le podium!

Maëlle Bottin a décroché une superbe deuxième place à la finale internationale du concours Ma Thèse en 180 secondes, qui se déroulait ce 5...
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Prof. Yann Garcia contributed to a Wiley-VCH book on...

Prof. Yann Garcia, in collaboration with Prof. Junhu Wang and Prof. Tao Zhang, director of the Mössbauer Effect Data Center from the Dalian...
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