Quantum tunneling rotor as a sensitive atomistic probe of guests in a metal-organic framework
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36 MATERIALS SCIENCE↗
Engineering topics
Van Speybroeck, Veronique (ORCID:000000032206178X)
Publications and source records attributed to Van Speybroeck, Veronique (ORCID:000000032206178X).
Simulations in the era of exascale computing
Exascale computers — supercomputers that can perform 10 18 floating point operations per second — started coming online in 2022: in the United States, Frontier launched as the first public exascale supercomputer and Aurora is due to open soon; OceanLight and Tianhe-3 are operational in China; and JUPITER is due to launch in 2023 in Europe. Supercomputers offer unprecedented opportunities for modelling complex materials. In this Viewpoint, five researchers working on different types of materials discuss the most promising directions in computational materials science.
36 MATERIALS SCIENCE↗
An embedded interfacial network stabilizes inorganic CsPbI3 perovskite thin films
Abstract The black perovskite phase of CsPbI 3 is promising for optoelectronic applications; however, it is unstable under ambient conditions, transforming within minutes into an optically inactive yellow phase, a fact that has so far prevented its widespread adoption. Here we use coarse photolithography to embed a PbI 2 -based interfacial microstructure into otherwise-unstable CsPbI 3 perovskite thin films and devices. Films fitted with a tessellating microgrid are rendered resistant to moisture-triggered decay and exhibit enhanced long-term stability of the black phase (beyond 2.5 years in a dry environment), due to increasing the phase transition energy barrier and limiting the spread of potential yellow phase formation to structurally isolated domains of the grid. This stabilizing effect is readily achieved at the device level, where unencapsulated CsPbI 3 perovskite photodetectors display ambient-stable operation. These findings provide insights into the nature of phase destabilization in emerging CsPbI 3 perovskite devices and demonstrate an effective stabilization procedure which is entirely orthogonal to existing approaches.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗