Chemistry articles from across Nature Portfolio

Charge-selective contacts have a key role in increasing the efficiency of perovskite solar cells (PSCs). A hole-transport material (HTM) is designed based on a symmetric aromatic molecule that facilitates long-range ordered π–π stacking on substrates. This HTM shows enhanced charge-transport properties, and when incorporated into PSCs, helps to deliver good efficiency and stability.

An approach that identifies, and predicts compatibility between, chemical and enzyme-sequence spaces can streamline and reduce risk in the discovery of enzymes that can catalyse a desired reaction. The strategy uses high-throughput experiments to generate data about enzyme-mediated reactions, and there is a tool that can predict compatible substrate–enzyme pairs.

Photo-electrocatalysis under alternating polarity allows enantioselective redox-neutral cross-coupling through β-scission of alcohols to afford optically pure chiral α-arylated amines.

The scarcity of experimental training data limits machine learning applications in catalysis research. Here, the authors demonstrate that graph convolutional network models pretrained on a molecular topological index significantly enhance the prediction of catalytic activity, showcasing a promising transfer-learning strategy that leverages self-generated virtual molecular databases.

Membrane-free complex coacervate microdroplets are compelling models for primitive compartmentalization, but it is unclear how molecular co-operativity influences physicochemical properties and activity of membrane-free compartments. Here, the authors use RNA/peptide coacervates as a model to reveal the relationship between coacervate properties and ribozyme activity.

Developing efficient catalysts that resolve the activity-stability trade-off remains challenging for hydrogen production. Here, the authors report a steam-assisted, machine-learning-screened synthesis of self-healing Ru/TiMnO_x electrodes that resolve this challenge.

Existing Moiré materials are mostly van der Waals heterostructures. Here the authors show that hydrogen-bond adaptability allows spontaneous formation of twisted bilayer ice at magic angles in 2D confinement, establishing a new class of Moiré materials.

A decomposable and recyclable polymer consisting of polystyrene and trithiocarbonates was synthesized. The synthesized polymer decomposed by mixing with allylamine. The decomposition was due to the reaction between trithiocarbonate in the polymer and allylamine. The decomposition was evaluated by the indentation test and the spectroscopies (e.g., ¹H NMR). Following the decomposition, the recycling of the decomposed polymer was conducted via a thiol-ene reaction by shining UV light (λ =365 nm). The resultant recycled polymer showed as high mechanical strength as the original polymer before decomposition.

Charge-selective contacts have a key role in increasing the efficiency of perovskite solar cells (PSCs). A hole-transport material (HTM) is designed based on a symmetric aromatic molecule that facilitates long-range ordered π–π stacking on substrates. This HTM shows enhanced charge-transport properties, and when incorporated into PSCs, helps to deliver good efficiency and stability.

An approach that identifies, and predicts compatibility between, chemical and enzyme-sequence spaces can streamline and reduce risk in the discovery of enzymes that can catalyse a desired reaction. The strategy uses high-throughput experiments to generate data about enzyme-mediated reactions, and there is a tool that can predict compatible substrate–enzyme pairs.

Critics slammed attempts by Google, Microsoft and Meta to speed up materials discovery. But behind the hype, there is progress.

DNA computers can use biological material to perform mathematical functions and store information, but their power sources have been fragile. Researchers now say they’ve developed a reliable source: heat.

Photo-electrocatalysis under alternating polarity allows enantioselective redox-neutral cross-coupling through β-scission of alcohols to afford optically pure chiral α-arylated amines.