Correction: Highly efficient yellow emission and abnormal thermal quenching in Mn-doped RbCdCl.

Correction for 'Highly efficient yellow emission and abnormal thermal quenching in Mn-doped RbCdCl' by Dayu Huang , , 2023, , 5715-5723, https://doi.org/10.1039/D3DT00453H.

Nonmetal Atom Doping Induced Orbital Shifts and Charge Modulation at the Edge of Two-Dimensional Boron Carbonitride Leading to Enhanced Photocatalytic Nitrogen Reduction.

Electronic structure, particularly charge state analysis, plays a crucial role in comprehending catalytic mechanisms. This study focuses on metal-free boron carbonitride (BCN) nanosheets as a case study to investigate the impact of heteroatom doping on the charge state of active sites at the edge of two-dimensional (2D) metal-free nanomaterials. Our observations revealed that the doping induces a shift in the frontier p orbital near the Fermi level, accompanied by alterations in its charge state.

Metal Halide Single Crystals RbCdCl:Sn and RbSnCl with Blue and White Emission Obtained via a Hydrothermal Process.

Until now, effective blue light-emitting materials are essentially needed for the creation of white light and precise color renderings in real-world applications, but the efficiency of blue light-emitting materials has lagged far behind. Here, we present a hydrothermal method to synthesize tin-based metal halide single crystals (RbCdCl:Sn and RbSnCl). Two single crystal materials with different shapes and phases can simultaneously be synthesized in the same stoichiometric ratio.

Rational Modulation of Single Atom Coordination Microenvironments in a BCN Monolayer for Multifunctional Electrocatalysis.

Single-atom (SA) catalysts (SACs) have demonstrated outstanding catalytic performances toward plenty of relevant electrochemical reactions. Nevertheless, controlling the coordination microenvironment of catalytically active SAs to further enhance their catalytic oerformences has remained elusive up to now. Herein, a systematic investigation of 20 transition metal atoms that are coordinated with 20 different microenvironments in a boroncarbon-nitride monolayer (BCN) is conducted using high-throughput density functional theory calculations.

Highly efficient yellow emission and abnormal thermal quenching in Mn-doped RbCdCl.

In this paper, Mn-doped RbCdCl metal halide single crystals were prepared by a hydrothermal method. The RbCdCl:Mn metal halide exhibits yellow emission with photoluminescence quantum yields (PLQY) as high as 88%. Due to the thermally induced electron detrapping, RbCdCl:Mn also displays good anti-thermal quenching (ATQ) behavior with thermal quenching resistance (131% at 220 °C).

Growth of SnX (X = Br, I) Single Crystals with Self-Trapped Exciton Emission.

Broadband emission with a large Stokes shift is important to obtain an excellent color rendering index of the solid-state lighting device. Among low-dimensional material and perovskite-like phosphors with broadband self-trapped emission, Sn-based phosphors have attracted much attention due to their high photoluminescence quantum yield (PLQY). However, the disadvantage is that the synthesis of Sn-based phosphors needs to be performed in a glovebox.

Enhanced Optoelectronic Performance Induced by Ion Migration in Lead-Free CsCuI Single-Crystal Microrods.

Lead-free perovskite has attracted great attention in realizing high-performance optoelectronic devices due to their excellent atmospheric stability and nontoxic characteristics. Although a pronounced ion migration effect has been observed in this new class of materials, its potential in enhancing the overall device performance is yet to be fully explored. In this work, we studied the effect of ion migrations on the carrier transport behavior and found that the recoverable migration process can contribute to enhancing the on/off ratio in a lead-free CsCuI single-crystal microrod-based photodetector.

Computational Study of the Curvature-Promoted Anchoring of Transition Metals for Water Splitting.

Generating clean and sustainable hydrogen from water splitting processes represent a practical alternative to solve the energy crisis. Ultrathin two-dimensional materials exhibit attractive properties as catalysts for hydrogen production owing to their large surface-to-volume ratios and effective chemisorption sites. However, the catalytically inactive surfaces of the transition metal dichalcogenides (TMD) possess merely small areas of active chemical sites on the edge, thus decreasing their possibilities for practical applications.

Atomically Dispersed Heteronuclear Dual-Atom Catalysts: A New Rising Star in Atomic Catalysis.

Atomic catalysts (AC) are gaining extensive research interest as the most active new frontier in heterogeneous catalysis due to their unique electronic structures and maximum atom-utilization efficiencies. Among all the atom catalysts, atomically dispersed heteronuclear dual-atom catalysts (HDACs), which are featured with asymmetric active sites, have recently opened new pathways in the field of advancing atomic catalysis. In this review, the up-to-date investigations on heteronuclear dual-atom catalysts together with the last advances on their theoretical predictions and experimental constructions are summarized.

Observation and Suppression of Stacking Interface States in Sandwich-Structured Quantum Dot Light-Emitting Diodes.

Interfacial quality of functional layers plays an important role in the carrier transport of sandwich-structured devices. Although the suppression of interface states is crucial to the overall device performance, our understanding on their formation and annihilation mechanism via direct characterization is still quite limited. Here, we present a thorough study on the interface states present in the electron transport layer (ETL) of blue quantum dot (QD) light-emitting diodes (QLEDs).

Unravelling the Reaction Mechanisms of N Fixation on Molybdenum Nitride: A Full DFT Study from the Pristine Surface to Heteroatom Anchoring.

Transition metal nitrides (TMNs)-based materials have attracted increasing attention in electrochemical nitrogen reduction reaction (eNRR) because of their unique structures and inherent electronic properties. However, the eNRR mechanism on such nitrogen contained catalysts is still unclear, for example, which part of the catalyst act as the active sites, and how to achieve the optimal efficiency is also challenging. In this work, a comprehensive study was conducted to unravel the reaction mechanisms of N fixation on molybdenum nitride by using density functional theory (DFT) calculations.

Design of 2D materials - MSiCN (M = Cr, Mo, and W; x = 1 and 2) - with tunable electronic and magnetic properties.

Two-dimensional (2D) materials have attracted increasing interest in the past decades due to their unique physical and chemical properties for diverse applications. In this work, we present a first-principles design on a novel 2D family, MSiCN (M = Cr, Mo, and W; x = 1 and 2), based on density-functional theory (DFT). We find that all MSiCN monolayers are stable by investigating their mechanic, dynamic, and thermodynamic properties.