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Although the physiochemical merits of g-C3N4-based photocatalysts have garnered increasing interest in the fields of energy and environmental science, insufficient layer detachment has created a gap between fundamental research and practical applications. To unlock the intrinsic potential of g-C3N4, a bio-transformation of the ZnMn2O4 ((6)ZM) gel was employed to introduce highly-ordered modulation caused by steric hindrance during melamine pyrolysis. Phytomediated (6)ZM reorganized traditional carbon nitride into crossed C3N4 (CCN) monolayers, simultaneously engineering an auspicious Z-schematic system ((6)ZM/CCN). Phytoconverted (6)ZM retained the crystalline-amorphous configuration for facile charge transfer and provided a large surface area (288 m2 g−1) that was 2.3 times greater than that of thermally prepared g-C3N4 (TCN) monolayers. Additionally, (6)ZM exhibited a quantum confinement-promoted reduction capability and induced bulging on CCN monolayers to fully utilize photons through multilevel light scattering and reflection. Specific sequential two-step calcination of (6)ZM/CCN, furnishing affordable dual Z-schematic VO–(6)ZM/CCN, was specifically developed to introduce a third component into the structure without incurring additional operational cost or complexity. V2O5 (VO) nanoparticles were thermally anchored on (6)ZM/CCN to achieve highly efficient levofloxacin (LFC) detoxification under visible-light irradiation. After optimizing all effective synthesis parameters and experimental variables, VO–(6)ZM/CCN exhibited unsurpassed activity, achieving complete LFC photodegradation (50 mg L−1) within 120 min, which was 10.7, 8.7, and 24.7 times more kinetically efficient than the photodegradations achieved by (6)ZM, TCN, and VO, respectively. The outstanding performance of VO–(6)ZM/CCN was evident through complete mineralization of LFC, excellent decontamination of pharmaceutical wastewater within 300 min, resistance to performance deterioration during successive cycling runs, and the corresponding postcharacterization. The combination of simultaneous Z-scheme formation with photogenic (6)ZM provides a promising strategy to bridge the gap between experimental investigations and industrial applications of g-C3N4. [ABSTRACT FROM AUTHOR]

Multi-shelled configurations of mixed bimetallic oxides, which are well-known candidates for CO2 photoreduction, were prepared via the calcination of rigid spheres of the self-template glycerate-assisted metal–organic structure. However, the fabrication of highly efficient, stable constructions is still a significant challenge. The effectiveness of this strategy is restricted by the questionable stability of the structure, which collapses under harsh calcination conditions. Herein, we focused our attention on manipulating the initial solvothermal reaction, through which MnCo2O4 yolk-in-double-shell hollow spheres (YDSHS-MCO) were engineered via the formation of two sequential yolk-shells, i.e., one during the solvothermal process and the other during the calcination process. To better understand the origin of the superior performance of this structure, its conventional nanoparticle counterpart (NP-MCO) was synthesized, showing that YDSHS-MCO had a much higher photo/electrochemical merits and CO2-to-syngas conversion, which was 8-fold than that of NP-MCO. In addition, optimized ZnMn2O4 nanoparticles (6-ZMO) prepared via the green sol–gel phyto-mediated method were intimately amalgamated on the nanosheet-assembled exterior YDSHS-MCO shell, resulting in the formation of an astounding S-scheme heterojunction ((80)YDSHS-MCO@6-ZMO). The fusion of the small-sized 6-ZMO nanoparticles with the advantages of crystalline-amorphous structure and quantum-confinement-promoted reduction capability introduced efficient reduction centers on the flower-like exterior YDSHS-MCO shell. As anticipated, in the CO2 photoreduction reaction, (80)YDSHS-MCO@6-ZMO demonstrated a superior performance in realizing syngas production of 1401 μmol g−1 h−1 with the CO selectivity of 87.5% in the liquid–solid phase and 2125 μmol cm−2 h−1 in the gas–solid phase without the applying any photosensitizer/sacrificial agents. Regarding its stability, after a long-term experiment and time-equivalent successive cycling reactions in both systems (gas–/liquid–solid phase), its post-characterization and photocatalytic performance demonstrated the successful resilience engineering. The unique architecture of the stable multi-shell amalgamated with the rational configuration of an S-scheme encompasses a facile, low-cost structure that surpasses its counterparts in various domains. [ABSTRACT FROM AUTHOR]

Air pollution is known as one of the most important causes of death in the whole world. Therefore, pollution reduction to achieve clean air was noticed by everyone. This way, using nanotechnology to control air and monitor is a novel approach. This paper investigates the effect of the number of graphene nano-pores on the SiO 2 separation from the H 2 O vapour in the presence of an external electric field with the magnitude of 0.01 V/Å using the molecular dynamics (MD) method. The electric field affects the charged particles and causes disturbance in the structure. It also prevents SiO 2 nanoparticles from passing through the graphene nanosheet. Also, the presence of carbon nanosheets acts as a membrane and affects the diffusion of water in the nanostructure. So, the results show that in the presence of a nano-pore, the number of H 2 O molecules reaches to 496 and 568 in reservoirs 2 and 3. Also, the number of SiO 2 nanoparticles reaches 10 and 4 in reservoirs 2 and 3. This shows that in reservoirs 2 and 3, about 80% and 60% of the SiO 2 nanoparticles are separated. As mentioned before, the electric field prevents the passage of SiO 2 nanoparticles through the graphene nanosheet. As the number of graphene nano-pores increases by 2, 3, 4, and 5, the number of passing water molecules increases. Considering that the number of graphene nano-pores has increased and the movement path of particles has increased, the number of passing particles almost increases. However, the electric field prevents the passage of SiO 2 nanoparticles. According to the results, the suggested setup can be employed for designing highly efficient nanostructured membranes for air purification and monitoring. [Display omitted] [ABSTRACT FROM AUTHOR]

Often the choice of semiconductor material for light‐chemical energy conversion in solar cell technology is TiO2 polymorphs. However, quantum‐mechanical phenomena of electron self‐trapping (polaron) in these polar semiconductors present a challenge to optimize their performance for absorption of solar radiation. The electron trapped in the defect site of the lattice may suppress the recombination of charge carriers and improve the efficiency of light‐chemical energy conversion. Therefore, it is crucial to study polarons in transition metal oxides and semiconductors using first‐principles methods to elucidate the nature of charge carriers and trapping sites for ameliorating the performance of energy conversion. In this work, a comprehensive review is presented using selected literature of polaron studies in TiO2 from first‐principles methods. Overview of the Landau–Pekar model to the recent development of ab initio theory of polaron is presented. The popular DFT+U approach and hybrid functional method are discussed to show the general way of studying polaron using ab initio methods. Introduction of electron‐phonon interaction and the ab initio theory of polaron are briefly presented Therefore, this review presents the development of first‐principles methods from Landau theory to the state‐of‐the‐art to study polarons using TiO2 as the toy model. Finally, conclusions and future perspectives are outlined. [ABSTRACT FROM AUTHOR]

Upgrading of biomass wastes to value-added materials has been incessantly pursued worldwide with diverse applications, especially deploying photocatalytic composites encompassing metal oxides with acidic and carbon compounds. Herein, the fabrication of a morphologically unique acidic catalyst encompassing a two-dimensional (2D) TiO 2 /g-C 3 N 4 heterojunction feature is described for the generation of 5-hydroxymethylfurfural (5-HMF), which exploits the acidic/ionic liquid (IL) bifunctional photocatalysis under visible light. The structural integrity of the synthesized TiO 2 /g-C 3 N 4 /SO 3 H(IL) was corroborated by Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy-energy-dispersive spectroscopy (EDX-EDS), X-ray photoelectron spectroscopy (XPS), thermogravimetric analysis (TGA), field emission scanning electron microscopy (FESEM), UV-vis, Tauc plots, transmission electron microscopy (TEM), and Brunauer-Emmett-Teller-Barrett-Joyner-Halenda (BET-BJH) analyses. Keeping environmental impact in mind, there are compelling advantages in the development of bio-derived pathways to access ILs from natural renewable resources. The outcomes of environmental assessments have revealed that the incorporation of TiO 2 in g-C 3 N 4 and ClSO 3 H can reduce the probability of recombination due to ionic charges present, therefore enhancing the photocatalytic activity via the transformation of cellulose and glucose to produce 5-HMF in higher yields, with the optimum conditions being reaction in water under a blue light-emitting diode (LED), at 100 °C, for 1-1.5 h. The main advantages of this production method include minimum number of synthetic steps as well as ample availability of and easy access to primary ingredients. While a significant volume of 5-HMF was produced under blue light-emitting diode (LED) radiation, the selectivity was drastically reduced in the dark. The salient attributes of the catalyst comprise stability in air, robustness, reusability, and its overall superior activity that is devoid of hazardous additives or agents. This inimitable method has uncovered a newer strategy for enhancing the photocatalytic attributes of deployed semiconducting materials for numerous photocatalytic functions while adhering to the tenets of environmental friendliness.

Surface modification for templated synthesis is crucial to achieving three-dimensional (3D) architectured materials for catalysis, photonics, energy storage, etc. However, the existing facile and versatile modification methods (e.g. with dopamine and catechol) generate modification layers that are unstable in harsh environments. These methods are thus unsuitable for electrical applications. Here we report that Ce4+ can act as an effective surface modification reagent for a broad range of substrates (chitinous butterfly wings, carbon paper, nickel foam, and polyethylene terephthalate planks) with various structural features owing to its strong oxidizing ability and Lewis acid nature. The modification yields discrete CeO2 seed layers on substrate surfaces in ca. 0.25-2 h, important for the subsequent conformal growth of CeO2 nanoparticles, Ni(OH)2 nanowires, FeOOH nanosheets, and WO3 nanosheets into 3D architectured materials. The conformally synthesized FeOOH on nickel foam (NF) yields an overpotential of 241 mV at 10 mA cm-1 for an oxygen evolution reaction. This value is comparable to a typical catalyst Ni(Fe)OOH-NF for which the Ni/Fe ratio must be well-optimized. This facile and versatile strategy might have broad applications in the conformal fabrication and application of 3D architectured materials, especially when applied in electrical applications of architectured materials (e.g. Li-ion battery).