Molecular dynamics simulations are employed to elucidate the important factors in mechanical energy transfer between carbon nanotubes. Our calculations show that sharp resonance effects allow for near complete and highly efficient energy transfer. In addition, the weak coupling between two nanotubes sets the time scale for the energy transfer. The simulations provide the mechanistic basis for a theoretical description of lattice vibration mediated heat flow in nanoscale materials.
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http://dx.doi.org/10.1103/PhysRevLett.98.125503 | DOI Listing |
J Phys Chem B
January 2025
Department of Chemistry and Biochemistry, University of Arizona, 1306 East University Boulevard, Tucson, Arizona 85721, United States.
Natural enzymes are powerful catalysts, reducing the apparent activation energy for reactions and enabling chemistry to proceed as much as 10 times faster than the corresponding solution reaction. It has been suggested for some time that, in some cases, quantum tunneling can contribute to this rate enhancement by offering pathways through a barrier inaccessible to activated events. A central question of interest to both physical chemists and biochemists is the extent to which evolution introduces mechanisms below the barrier, or tunneling mechanisms.
View Article and Find Full Text PDFAppl Microbiol Biotechnol
January 2025
Environmental Microbiology Group, Institute of Water Research, University of Granada, 18003, Granada, Spain.
Microbial fuel cell (MFC) technology has received increased interest as a suitable approach for treating wastewater while producing electricity. However, there remains a lack of studies investigating the impact of inoculum type and hydraulic retention time (HRT) on the efficiency of MFCs in treating industrial saline wastewater. The effect of three different inocula (activated sludge from a fish-canning industry and two domestic wastewater treatment plants, WWTPs) on electrochemical and physicochemical parameters and the anodic microbiome of a two-chambered continuous-flow MFC was studied.
View Article and Find Full Text PDFJ Phys Chem A
January 2025
College of Physics, Liaoning University, Shenyang 110036, China.
Based on the DCV-C system of fullerene acceptor organic solar cell active materials, the charge transfer process of D-A type molecular materials under the action of an external electric field () was explored. Within the range of electric field application, the excited state characteristics exhibit certain regular changes. Based on reducing the excitation energy, the excitation mode shows a trend of developing toward low excited states.
View Article and Find Full Text PDFNanoscale
January 2025
Hunan Automotive Engineering Vocational University, Zhuzhou 412001, P. R. China.
The incorporation of Sb ions into all-inorganic halide lead-free perovskites bestows them with remarkable photoluminescence characteristics, including an extensive color tuning range, elevated photoluminescence quantum yield (PLQY), and reversible color transitions, which hold significant promise for applications in light-emitting diodes, anti-counterfeiting encryption technologies, and photodetectors. Sb ions not only create new optical absorption channels but also can be integrated into these materials as activators or sensitizers to modulate the bandgap and band structure. This review focuses on the optical properties of Sb ion-doped lead-free halide perovskites while examining potential energy transfer pathways across various doping systems.
View Article and Find Full Text PDFJ Phys Chem A
January 2025
Departamento de Física, Universidade Federal do Paraná, Caixa Postal 19044, 81531-980 Curitiba, Paraná, Brazil.
In this work, we report elastic integral, differential, and momentum-transfer cross sections for the scattering of low-energy electrons by salicylic acid. The cross sections were calculated with the Schwinger multichannel method implemented with norm-conserving pseudopotential within the static-exchange and static-exchange plus polarization (SEP) approximations for energies up to 15 eV. In the SEP approximation, four π* resonances were found at around 0.
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