Interfacial Strain-Modulated Nanospherical Ni P by Heteronuclei-Mediated Growth on Ti C T MXene for Efficient Hydrogen Evolution.

Interface modulation of nickel phosphide (Ni P) to produce an optimal catalytic activation barrier has been considered a promising approach to enhance the hydrogen production activity via water splitting. Herein, heteronuclei-mediated in situ growth of hollow Ni P nanospheres on a surface defect-engineered titanium carbide (Ti C T ) MXene showing high electrochemical activity for the hydrogen evolution reaction (HER) is demonstrated. The heteronucleation drives intrinsic strain in hexagonal Ni P with an observable distortion at the Ni P@Ti C T MXene heterointerface, which leads to charge redistribution and improved charge transfer at the interface between the two components.

Core-Shell Structured MXene@Carbon Nanodots as Bifunctional Catalysts for Solar-Assisted Water Splitting.

The design of nonprecious bifunctional electrocatalysts with high activity and prolonged durability in a wide pH range is essential for the development of the highly efficient, cost-effective, and simplified overall water splitting systems. Here, we report core-shell structured MXene@carbon (MX@C) nanodot hybrids with high bifunctional activity, where N-doped carbon shells are grown in a heteroepitaxial manner strongly interacting with the MXene core. The resulting MX@C nanodot hybrids show enhanced catalytic activity for electrochemical hydrogen evolution reaction (HER) in various pH media from 0 to 14.

Explainable machine learning for materials discovery: predicting the potentially formable Nd-Fe-B crystal structures and extracting the structure-stability relationship.

New Nd-Fe-B crystal structures can be formed via the elemental substitution of -- host structures, including lanthanides (), transition metals () and light elements, = B, C, N and O. The 5967 samples of ternary -- materials that are collected are then used as the host structures. For each host crystal structure, a substituted crystal structure is created by substituting all lanthanide sites with Nd, all transition metal sites with Fe and all light-element sites with B.

Boron cage effects on Nd-Fe-B crystal structure's stability.

In this study, we investigate the structure-stability relationship of hypothetical Nd-Fe-B crystal structures using descriptor-relevance analysis and the t-SNE dimensionality reduction method. 149 hypothetical Nd-Fe-B crystal structures are generated from 5967 LA-T-X host structures in the Open Quantum Materials Database by using the elemental substitution method, with LA denoting lanthanides, T denoting transition metals, and X denoting light elements such as B, C, N, and O. By borrowing the skeletal structure of each of the host materials, a hypothetical crystal structure is created by substituting all lanthanide sites with Nd, all transition metal sites with Fe, and all light element sites with B.

Biopolymer-Inspired N-Doped Nanocarbon Using Carbonized Polydopamine: A High-Performance Electrocatalyst for Hydrogen-Evolution Reaction.

Hydrogen-evolution reaction (HER) is a promising technology for renewable energy conversion and storage. Electrochemical HER can provide a cost-effective method for the clean production of hydrogen. In this study, a biomimetic eco-friendly approach to fabricate nitrogen-doped carbon nanosheets, exhibiting a high HER performance, and using a carbonized polydopamine (C-PDA), is described.

Committee machine that votes for similarity between materials.

A method has been developed to measure the similarity between materials, focusing on specific physical properties. The information obtained can be utilized to understand the underlying mechanisms and support the prediction of the physical properties of materials. The method consists of three steps: variable evaluation based on nonlinear regression, regression-based clustering, and similarity measurement with a committee machine constructed from the clustering results.

Graphene-Embedded Hydrogel Nanofibers for Detection and Removal of Aqueous-Phase Dyes.

A facile route to graphene/polymer hydrogel nanofibers was developed. An aqueous dispersion of graphene (containing >40% bilayer graphene flakes) stabilized by a functionalized water-soluble polymer with phenyl side chains was successfully electrospun to yield nanofibers. Subsequent vapor-phase cross-linking of the nanofibers produced graphene-embedded hydrogel nanofibers (GHNFs).

A near-infrared "turn-on" fluorescent probe with a self-immolative linker for the in vivo quantitative detection and imaging of hydrogen sulfide.

Hydrogen sulfide is a critical biological messenger, but few biologically compatible methods are available for its detection in vivo. Here, we describe the design and synthesis of a novel azide-functionalized near-infrared probe, NIR-Az, for a hydrogen sulfide assay in which a self-immolative linker is incorporated between the azide moiety and phenolic dihydroxanthene fluorophore from a cyanine dye. A large "turn-on" near-infrared fluorescence signal results from the reduction of the azide group of the fluorogenic moiety to an amine, in which the self-immolative linker also enhances the accessibility of NIR-Az to hydrogen sulfide.

Recent Advances in Nanostructured Conducting Polymers: from Synthesis to Practical Applications.

Conducting polymers (CPs) have been widely studied to realize advanced technologies in various areas such as chemical and biosensors, catalysts, photovoltaic cells, batteries, supercapacitors, and others. In particular, hybridization of CPs with inorganic species has allowed the production of promising functional materials with improved performance in various applications. Consequently, many important studies on CPs have been carried out over the last decade, and numerous researchers remain attracted to CPs from a technological perspective.