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The rational design of high-performance two-electron oxygen reduction reaction (2e-ORR) electrocatalysts is of great significance for sustainable H2O2 production. Herein, we report the synthesis of a transition-metal chalcogenide@metal–organic framework (TMC@MOF) composite material as an efficient 2e-ORR electrocatalyst. Through a partial conversion route using NiFe-MOF nanosheets as precursors, the Ni ions are partially converted into NiS2 nanoparticles, which are embedded in the MOF skeleton with partially preserved crystalline structure and in situ generated mesopores. Experimental and theoretical results demonstrate that the interaction between NiS2 and retained MOFs regulates the electronic structure of Ni sites in NiS2 toward optimized adsorption of oxygen intermediates, enhancing the 2e-ORR selectivity. Additionally, the ultrasmall NiS2 nanoparticles (grain size < 10 nm) expose abundant active sites, and the created mesopores facilitate the mass transfer. Collectively, excellent 2e-ORR performances are achieved with a high selectivity of 96% and a high H2O2 production rate of 4.2 mol gcat−1 h−1. The proposed partial sulfidation strategy paves the way for the design of advanced MOF-based composite materials for various applications. [ABSTRACT FROM AUTHOR]

Graphitic germanium carbide (g-GeC) is a novel material that has recently aroused much interest. Porous g-GeC can be fabricated by forming a lattice of pores in pristine g-GeC. In this work, we systematically investigate the influence of creating pores within pristine g-GeC. The pores are passivated with hydrogen, nitrogen, and oxygen, with four supercell sizes. The electronic properties are calculated using the density functional theory (DFT) formalism, which revealed that hydrogen-passivated systems have bandgaps ranging from 1.80 eV to 1.93 eV. The corresponding ranges for the nitrogen- and oxygen-passivated systems are 1.21 eV to 1.58 eV, and 1.18 eV to 1.45 eV, respectively. The bandgaps are always smaller than that of the pristine g-GeC system, and they approach the pristine value for larger supercell sizes. The studied systems have charge-trapping clusters of states located above/below the valence/conduction bands, partially localized at the pore-edge atoms. Additionally, we explore the chelation doping of the N-passivated GeC nanomesh using transition metal (Ni, Pd, Pt) three-atom clusters. Interestingly, the doped systems are dilute magnetic semiconductors. The studied systems exhibit electronic properties that may be useful for sensing and spintronics. [ABSTRACT FROM AUTHOR]

The fast advancements in technology have generated significant interest in optoelectronic materials. Nevertheless, the difficulty of creating affordable materials with exceptional optical characteristics is an ongoing challenge. Therefore, the objective of this work was to tune the optical properties of poly(methyl methacrylate) (PMMA) by embedding silver vanadate (SV) in the polymer matrix. Moreover, the wettability test of the fabricated composite membranes showed a hydrophobic behavior, with the PMMA film containing 0.6 wt.% SV showed a contact angle of 86.75 ± 0.7°. Furthermore, SV showed high thermal stability with a maximum weight loss of 0.74% at 830°C, which is very high thermal stability at high temperatures. In addition, the 0.6 wt.% SV@PMMA film exhibited a maximum weight loss of 96.7% at 785°C. Moreover, the 0.6 wt.% SV@PMMA film showed the lowest indirect band gap energy (2.02 eV) compared to the other films and pure SV NPs. The findings demonstrate the potential of the synthesized films for optoelectronic applications. [ABSTRACT FROM AUTHOR]

Rutin, a flavonoid phytochemical compound, plays a vital role in human health. It is used in treating capillary fragility and has anti-Alzheimer, anti-inflammatory, and antioxidant effects. In this study, Ti-Mo-Ni-O nanotubes (NTs) were used, for the first time, in an unprecedented plant biotechnology application, wherein in vitro Philodendron shoots (Philodendron erubescens) known as "Imperial Red" were targeted for rutin accumulation. The antioxidant responses and the accumulation of rutin were evaluated in treated Philodendron erubescens (P. erubescens) shoots using 5.0 mg/L of Ti-Mo-Ni-O NTs. The total phenolic content and total flavonoid content were estimated, and an ABTS+ assay, FRAP assay, and iron metal chelation assay were performed. The application of Ti-Mo-Ni-O NTs enhanced the rutin content considerably from 0.02 mg/g to 2.96 mg/g for dry-weight shootlet extracts. Therefore, the use of Ti-Mo-Ni-O NTs is proposed to be a superior alternative to elevate the rutin content. The aim of the current study is to target P. erubescens shoots grown in vitro for the accumulation of rutin compounds using Ti-Mo-Ni-O NT powder, to determine the quantitative and qualitative accumulation of rutin via HPLC–DAD analysis, and to estimate the antioxidant activity of P. erubescens shoot extract. This study presents a novel methodology for utilizing nano-biotechnology in the synthesis of plant secondary metabolites. [ABSTRACT FROM AUTHOR]