Graphene nanoribbons (GNRs) are promising quasi-one-dimensional materials with various technological applications. Recently, methods that allowed for the control of GNR's topology have been developed, resulting in connected nanoribbons composed of two distinct armchair GNR families. Here, we employed an extended version of the Su-Schrieffer-Heeger model to study the morphological and electronic properties of these novel GNRs. Results demonstrated that charge injection leads to the formation of polarons that localize strictly in the 9-AGNRs segments of the system. Its mobility is highly impaired by the system's topology. The polaron displaces through hopping between 9-AGNR portions of the system, suggesting this mechanism for charge transport in this material.
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http://dx.doi.org/10.1038/s41598-021-84626-7 | DOI Listing |
Neuroimage
January 2025
Dept. of Electrical and Computer Engineering, Worcester Polytechnic Institute, Worcester, MA, USA.
A fast BEM (boundary element method) based approach is developed to solve an EEG/MEG forward problem for a modern high-resolution head model. The method utilizes a charge-based BEM accelerated by the fast multipole method (BEM-FMM) with an adaptive mesh pre-refinement method (called b-refinement) close to the singular dipole source(s). No costly matrix-filling or direct solution steps typical for the standard BEM are required; the method generates on-skin voltages as well as MEG magnetic fields for high-resolution head models within 90 seconds after initial model assembly using a regular workstation.
View Article and Find Full Text PDFPhys Rev Lett
December 2024
Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA.
We measure the high-intensity laser propagation throughout meter-scale, channel-guided laser-plasma accelerators by adjusting the length of the plasma channel on a shot-by-shot basis, showing high-quality guiding of 500 TW laser pulses over 30 cm in a hydrogen plasma of density n_{0}≈1×10^{17} cm^{-3}. We observed transverse energy transport of higher-order modes in the first ≈12 cm of the plasma channel, followed by quasimatched propagation, and the gradual, dark-current-free depletion of laser energy to the wake. We quantify the laser-to-wake transfer efficiency limitations of currently available petawatt-class lasers and demonstrate via simulation how control over the laser mode can significantly improve beam parameters.
View Article and Find Full Text PDFJ Am Chem Soc
January 2025
College of Engineering and Applied Sciences, Jiangsu Key Laboratory of Artificial Functional Materials, National Laboratory of Solid State Microstructures, Collaborative Innovation Centre of Advanced Microstructures, Nanjing University, Nanjing 210093, P. R. China.
The rapid advancements in 3C electronic devices necessitate an increase in the charge cutoff voltage of LiCoO to unlock a higher energy density that surpasses the currently available levels. However, the structural devastation and electrochemical decay of LiCoO are significantly exacerbated, particularly at ≥4.5 V, due to the stress concentration caused by more severe lattice expansion and shrinkage, coupled with heterogeneous Li intercalation/deintercalation reactions.
View Article and Find Full Text PDFInorg Chem
January 2025
Departamento de Química Física and Instituto de Biocomputación y Física de Sistemas Complejos (BIFI), Universidad de Zaragoza, Zaragoza 50009, Spain.
The pentafluoroorthotellurate group (-OTeF, teflate) exhibits high electron-withdrawing properties. Indeed, it is often used as a bulky substitute for fluoride due to its high chemical stability and larger size, which reduces its tendency to act as a bridging ligand. These characteristics make it a valuable ligand in synthetic chemistry, facilitating the preparation of molecular structures analogous to polymeric fluoride-based compounds.
View Article and Find Full Text PDFJ Comput Chem
January 2025
Chemistry Department, Southern Methodist University, Dallas, Texas, USA.
Using the QM/MM methodology and a local mode analysis, we investigated a character and a strength of FeS bonds of heme groups in oxidized and reduced forms of Bacterioferritin from Azotobacter vinelandii. The strength of the FeS bonds was correlated with a bond length, an energy density at a bond critical point, and a charge difference of the F and S atoms. Changing the oxidation state from ferrous to ferric generally makes the FeS bonds weaker, longer, more covalent, and more polar.
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