Simultaneously manipulating the nanostructure and band structure of semiconductors for boosting the photocatalytic performance of photocatalyts is highly desirable. Herein, a series of hierarchical sponge-like S-doped poly(heptazine imide) (HS-SPHI) assembled by ultrathin nanosheets were successfully fabricated via a facile bottom-up supramolecular preassembly approach using melamine (MA) and trithiocyanuric acid (TTCA) as precursors. Benefiting from the synergistic effect of the S-doping and their unique hierarchical porous structure coupled with quantum confinement effect, the as-obtained HS-SPHIs are endowed with extended visible-light response, improved charge separation efficiency, enlarged specific surface area, and enhanced thermodynamic driving force for water reduction. As a result, all the HS-SPHIs exhibit remarkable boosting visible-light (>420 nm) photocatalytic Hevolution (PHE). The maximum PHE rate achieved by HS-SPHI-650 can be up to 3584.2 μmol gh, with an apparent quantum efficiency (AQE) of 14.67 % at 420 nm, which is about 22.4 times than that of pristine bulk g-CN (B-GCN). We believe that this work will provide a significant strategy for optimizing the band structure of PCN in order to improve its photocatalytic performance.
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http://dx.doi.org/10.1016/j.jcis.2023.03.208 | DOI Listing |
Nanotechnology
January 2025
Department of Physics, University of Alberta, 4-181 CCIS, University of Alberta, Edmonton, Alberta, T6G 2R3, CANADA.
Bare silicon dimers on hydrogen-terminated Si(100) have two dangling bonds. These are atomically localized regions of high state density near to and within the bulk silicon band gap. We studied bare silicon dimers as monomeric units.
View Article and Find Full Text PDFPhys Rev Lett
December 2024
University of Connecticut, University of Connecticut, School of Mechanical, Aerospace, and Manufacturing Engineering, Storrs, Connecticut 06269, USA and Institute of Materials Science, Storrs, Connecticut 06269, USA.
Flat lines within a band structure represent constant frequency bands for all momentum values (i.e., they maintain zero group velocity for all wave numbers).
View Article and Find Full Text PDFNanoscale
January 2025
Centre for Nano Science and Nano Technology, S 'O' A (Deemed to be University), Bhubaneswar-751 030, Odisha, India.
Titanium (Ti)-based MOFs are promising materials known for their porosity, stability, diverse valence states, and a lower conduction band (CB) than Zr-MOFs. These features support stable ligand-to-metal charge transfer (LMCT) transitions under photoirradiation, enhancing photocatalytic performance. However, Ti-MOF structures remain a challenge owing to the highly volatile and hydrophilic nature of ionic Ti precursors.
View Article and Find Full Text PDFInorg Chem
January 2025
Key Laboratory of Polymer Materials of Gansu Province, Key Laboratory of Eco-functional Polymer Materials of the Ministry of Education, College of Chemistry and Chemical Engineering, Northwest Normal University, Lanzhou 730070, Gansu, China.
Efficient and stable nonprecious metal-based oxygen evolution reaction (OER) electrocatalysts are pivotal for water electrolysis technology. Herein, we are reporting an effective strategy for fabricating efficient Co-based OER electrocatalysts by low-level Fe doping in CoMoO to boost surface reconstruction and electronic modulation, which resulted in excellent OER electroactivity consequently. Our findings reveal that a mere 5.
View Article and Find Full Text PDFMater Horiz
January 2025
Department of Materials Science, University of Michigan, Ann Arbor, Michigan 48109, USA.
It is difficult to intuit how electronic structure features-such as band gap magnitude, location of band extrema, effective masses, -arise from the underlying crystal chemistry of a material. Here we present a strategy to distill sparse and chemically-interpretable tight-binding models from density functional theory calculations, enabling us to interpret how multiple orbital interactions in a 3D crystal conspire to shape the overall band structure. Applying this process to silicon, we show that its indirect gap arises from a competition between first and second nearest-neighbor bonds-where second nearest-neighbor interactions pull the conduction band down from Γ to X in a cosine shape, but the first nearest-neighbor bonds push the band up near X, resulting in the characteristic dip of the silicon conduction band.
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