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In this paper, we provide visualization methods to reveal the physical mechanisms of photoinduced charge transfer in neutral and charged donor-acceptor systems. These visualization methods use the charge density difference and transition density matrix, which can promote deeper understanding of photoinduced charge transfer in donor-acceptor systems.
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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9043909 | PMC |
http://dx.doi.org/10.1039/d1ra06877f | DOI Listing |
Angew Chem Int Ed Engl
September 2025
State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, College of Chemistry, Jilin University, Changchun, 130012, P.R. China.
Neutral aqueous Zn-air batteries (ZABs), while promising for extended lifespans and recyclability compared to alkaline systems, are hindered by sluggish kinetics that limit energy efficiency and power output. Here, we report an effective approach to construct a photo-assisted near-neutral ZAB based on a photo-responsive titanium silicalite-1 zeolite (TS-1). The incorporation of Ru active centers into the 3D porous architecture of TS@C (Ru@TS@C), which exhibits remarkably enhanced electronic conduction, creates interconnected conductive pathways.
View Article and Find Full Text PDFAdv Sci (Weinh)
September 2025
Physical & Computational Science Directorate, Pacific Northwest National Laboratory, 902 Battelle Blvd, Richland, WA, 99354, USA.
Although heterogeneous photo-Fenton reactions on nanoparticulate iron oxides effectively degrade organic pollutants, the underlying surface mechanisms remain debated. Here, we demonstrate how these pathways are modulated by specific hematite crystal facets. To investigate the influence of particle surface structure, methylene blue (MB) adsorption and photodegradation kinetics are examined using facet-engineered hematite nanoparticles with distinct exposed facets.
View Article and Find Full Text PDFJ Colloid Interface Sci
September 2025
School of Materials Science and Engineering, Zhejiang Sci-Tech University, Hangzhou 310018, PR China; Zhejiang Sci-Tech University Shengzhou Innovation Research Institute, Shengzhou 312400, PR China. Electronic address:
Suppressing photoinduced charge recombination represents a critical challenge in photocatalytic ammonia (NH) decomposition for hydrogen (H) production. Herein, we propose a dual-cocatalyst system comprising plasmonic silver (Ag) and nickel oxide (NiO), which synergistically construct an Ag → titanium dioxide (TiO) → NiO directional electron cascade on TiO surfaces through work-function-induced interfacial charge transfer. The optimized 3 %Ag-1 %NiO-TiO reaches a significantly photocatalytic H production rate of 2366.
View Article and Find Full Text PDFJ Am Chem Soc
September 2025
Institute of Chemistry of OrganoMetallic Compounds (ICCOM), National Research Council of Italy (CNR), Via G. Moruzzi 1, 56124 Pisa, Italy.
Mixed-halide perovskites of formula MAPb(BrI), where MA is methylammonium, are of great interest for optoelectronic applications (particularly high-efficiency solar cells) due to their finely tunable bandgap, which enables precise control over light absorption. However, their stability remains a critical challenge, notably due to reversible photoinduced halide segregation. Under continuous illumination, this process leads to the formation of Br- and I-rich domains, which lower device performance by introducing low-bandgap regions that trap charge carriers.
View Article and Find Full Text PDFDiscov Nano
September 2025
School of Physics and Optoelectronic Engineering, Beijing University of Technology, Beijing, 100124, China.
Surface-enhanced Raman spectroscopy (SERS) by 2D semiconductors relies on chemical (CM) enhancement driven by charge-transfer (CT) processes in bandgap alignment between molecules and substrates. Unfortunately, the low light absorption and weak conferment in the atomic-layer material limit the enhancement factor of Raman intensity (EFRI). Improving the utilization efficiency of excitation light is therefore essential for promoting SERS performance of 2D semiconductors.
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