Abstract. Curiosity is adaptive, enhances learning, and reduces uncertainty. Social curiosity is defined as the motivation to gain information about the ac

The essence of catalysis lies in the transfer of electrons, driving the cleavage and formation of chemical bonds. Understanding the fundamental attributes of electrons is essential for improving the efficiency of catalytic processes. This tutorial review provides a systematic and accessible framework, integr

Although tartaric acid (TA) and its esters have been among the first molecules to be characterized by means of VCD spectroscopy, the experimental spectra of TA recorded in water have not yet been repr...

Inorganic shelling is a key strategy to address unwanted, surface-mediated nonradiative pathways in semiconductor nanocrystals. Improved passivation particularly advances the use of the smallest nanocrystals because complex photophysics arise as nanomaterials approach the molecular limit. However, shelling strategies developed for larger/more-robust nanocrystals are not always applicable in this size regime. Herein, we introduce the direct synthesis of ultrasmall (ø < 2 nm) PbS nanocrystals shelled with a range of metal-halide-perovskite-like monolayers by employing the appropriate two-dimensional perovskite as a precursor at the point of nanocrystal growth. These passivated nanocrystals possess improved photoluminescence quantum yields, reduced dynamic spectral red-shifting after photoexcitation, and longer, more-monoexponential photoluminescence dynamics─consistent with a reduction in defect-mediated exciton–phonon coupling. We then apply these shelled, ultrasmall PbS nanocrystals as sensitizers in a triplet-fusion upconversion architecture and observe 2-fold improved triplet yields. This demonstration emphasizes the photophysical benefits realized via our 2D perovskite shelling strategy, which can be applied to other nanocrystals─especially to small particles that are similarly vulnerable to existing strategies for post-synthetic modifications.

Here we evaluate the robustness and utility of quantum mechanical descriptors for machine learning with transition metal complexes. We utilize ab initio information from the quantum theory of atoms-in...

Fischer-Tropsch synthesis can produce liquid fuels from nonpetroleum sources

Maxson and Szilvási use a machine-learned interatomic potential to model supported silver nanoparticles. They show that the idealized nanoparticle shapes commonly invoked in the computational catalys...