RESUMEN
Weak doping can broaden, shift, and quench plasmon peaks in nanoparticles, but the mechanistic intricacies of the diverse responses to doping remain unclear. In this study, we used the time-dependent density functional theory (TD-DFT) to compute the excitation properties of transition-metal Pd- or Pt-doped gold and silver atomic arrays and investigate the evolution characteristics and response mechanisms of their plasmon peaks. The results demonstrated that the Pd or Pt doping of the off-centered 10 × 2 atomic arrays broadened or shifted the plasmon peaks to varying degrees. In particular, for Pd-doped 10 × 2 Au atomic arrays, the broadened plasmon peak significantly blueshifted, whereas a slight red shift was observed for Pt-doped arrays. For the 10 × 2 Ag atomic arrays, Pd doping caused almost no shift in the plasmon peak, whereas Pt doping caused a substantial red shift in the broadened plasmon peak. The analysis revealed that the diversity in these doping responses was related to the energy positions of the d electrons in the gold and silver atomic clusters and the positions of the doping atomic orbitals in the energy bands. The introduction of doping atoms altered the symmetry and gap size of the occupied and unoccupied orbitals, so multiple modes of single-particle transitions were involved in the excitation. An electron transfer analysis indicated a close correlation between excitation energy and the electron transfer of doping atoms. Finally, the differences in the symmetrically centered 11 × 2 doped atomic array were discussed using electron transfer analysis to validate the reliability of this analytical method. These findings elucidate the microscopic mechanisms of the evolution of plasmon peaks in doped atomic clusters and provide new insights into the rational control and application of plasmons in low-dimensional nanostructures.
RESUMEN
Tomography plays an important role in characterizing the three-dimensional structure of samples within specialized scenarios. In the paper, a masked attention network is presented to eliminate interference from different layers of the sample, substantially enhancing the resolution for photon-level single-pixel tomographic imaging. The simulation and experimental results have demonstrated that the axial resolution and lateral resolution of the imaging system can be improved by about 3 and 2 times respectively, with a sampling rate of 3.0 %. The scheme is expected to be seamlessly integrated into various tomography systems, which is conducive to promoting the tomographic imaging for biology, medicine, and materials science.
RESUMEN
Extension of the light absorption range and a reduction of the possibility of the photo-generated electron-hole pair recombination are the main tasks to break the bottleneck of the photocatalytic application of TiO2. In this paper, we systematically investigate the electronic and optical properties of Sc-doped, C-doped, and Sc/C-codoped TiO2 (101) surfaces using spin-polarized DFT+U calculations. The absorption coefficient of the Sc/C-codoped TiO2 (101) surfaces were enhanced the most compared with the other two doped systems in the high energy region of visible light, which can be attributed to the shallow impurity states. Furthermore, we studied the optical absorption properties with the change of the impurity concentration. The Sc/C-codoped TiO2 (101) surface with 5.56% impurity concentration exhibited optimal photocatalytic performance in the visible region. These results may be helpful for designing the high-performance of the photocatalysts by doping.
RESUMEN
High-salt conditions reduce the efficiency of electricity generation and nitrogen removal in microbial fuel cells (MFCs). In this work, we propose a three-phase single-chamber MFC (TP-MFC) by setting up a phase with immobilized cells in a conventional bipolar single-chamber MFC (common MFC). Cells from Halomonas were used as the immobilized phase, because these cells secrete the compatible solute ectoine and exhibit simultaneous nitrification and denitrification (SND). This enhanced the efficiency of SND and subsequent electricity generation under high-salt conditions. The average voltage of TP-MFC generated during the stable period in the presence of 30 g/L NaCl was 439.3 mV, which was 55.2% higher than that generated in common MFC. In addition, the N-removal rate of TP-MFC at 72 h was 63.4%, which was 38.4% higher than that of common MFC. The 16S rRNA diversity analysis showed an improved abundance of Pseudomonas, Acinetobacter, Alcaligenes, and Halomonas in TP-MFC, indicating that the ectoine secreted by immobilized Halomonas conferred substantial salt-tolerance on the electrogenic bacteria growing in a high-salt environment. This paper establishes an efficient and convenient method for improving the salt tolerance of microbial flora in MFCs, which is of great significance for the application of MFCs in high-strength wastewater treatment.