Precise Synthesis of Dual-Single-Atom Electrocatalysts through Pre-Coordination-Directed in Situ Confinement for CO Reduction.

Dual-single-atom catalysts (DSACs) are the next paradigm shift in single-atom catalysts because of the enhanced performance brought about by the synergistic effects between adjacent bimetallic pairs. However, there are few methods for synthesizing DSACs with precise bimetallic structures. Herein, a pre-coordination strategy is proposed to precisely synthesize a library of DSACs.

Two-Dimensional Transition Metal Boron Cluster Compounds (MBenes) with Strain-Independent Room-Temperature Magnetism.

Two-dimensional (2D) metal borides (MBenes) with unique electronic structures and physicochemical properties hold great promise for various applications. Given the abundance of boron clusters, we proposed employing them as structural motifs to design 2D transition metal boron cluster compounds (MBenes), an extension of MBenes. Herein, we have designed three stable MBenes (M(B), M = Mn, Fe, Co) based on B clusters and investigated their electronic and magnetic properties using first-principles calculations.

Bio-Inspired FeMoS Microspheres as Bifunctional Electrocatalysts for Boosting Hydrogen Oxidation/Evolution Reactions in Alkaline Solution.

Developing robust and effectual nonprecious electrocatalysts for the bifunctional hydrogen oxidation and evolution reactions (HOR and HER) in alkaline electrolyte is of critical significance for the realization of future hydrogen economy but challenging. Herein, this work demonstrates a new routine for the preparation of bio-inspired FeMoS microspheres the one-step sulfuration of Keplerate-type polyoxometalate {MoFe}. The bio-inspired FeMoS microspheres feature potential-abundant structural defects and atomically precise iron doping and act as an effective bifunctional electrocatalyst for hydrogen oxidation/reduction reactions.

Two-Dimensional Covalent Heptazine-Based Framework Enables Highly Photocatalytic Performance for Overall Water Splitting.

Screening high-efficiency 2D conjugated polymers toward visible-light-driven overall water splitting (OWS) is one of the most promising but challenging research directions to realize solar-to-hydrogen (STH) energy conversion and storage. "Mystery molecule" heptazine is an intriguing hydrogen evolution reaction (HER) building block. By covalently linking with the electron-rich alkynyl and phenyl oxygen evolution reaction (OER) active units, 10 experimentally feasible 2D covalent heptazine-based frameworks (CHFs) are constructed and screened four promising visible-light-driven OWS photocatalysts, which are linked by p-phenyl (CHF-4), p-phenylenediynyl (CHF-7), m-phenylenediynyl (CHF-8), and phenyltriynyl (CHF-9), respectively.

Controllable Negative Thermal Expansion by Mechanical Pulverizing in Hexagonal MnCoGe Compounds.

Negative thermal expansion (NTE) material as a compensator is very important for accurately controlling the thermal expansion of materials. Along with the magnitude of the coefficient of thermal expansion, the operating temperature window of the NTE materials is also a major concern. However, only a few of the NTE materials possess both a large operating temperature range and a large thermal expansion coefficient.