A two-temperature model has been used to investigate the effects of electron-ion coupling on defect formation and evolution in irradiated cubic silicon carbide. By simulating 10 keV displacement cascades under identical primary knock-on atom conditions, we find that the final displacement and the kinetic energy of the primary knock-on atom decrease rapidly with increasing electron-ion coupling strength. Moreover, by analyzing the number of peak defects, atomic and electronic temperatures, it is found that a higher number of peak defects is created for intermediate coupling strength due to the electronic temperature making a contribution to the disorder. Strong electron-ion coupling rapidly removes energy from the cascade, thus the number of peak defects is lower. Meanwhile, there is a non-monotonic trend in the relationship between the coupling strength and the time at which the temperature of atoms reaches the minimum. Furthermore, we discuss the mechanisms involved.
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http://dx.doi.org/10.1088/0953-8984/25/23/235402 | DOI Listing |
ChemSusChem
January 2025
Key Laboratory of Automobile Materials (Jilin University), Ministry of Education, School of Materials Science and Engineering, Jilin University, Changchun, 130022, China.
Metal selenides hold promise as feasible anode materials for potassium-ion batteries (PIBs), but still face problems such as poor potassium storage kinetics and dramatic volume expansion. Coupling heterostructure engineering with structural design could be an effective strategy for rapid and stable K storage. Herein, CoSe/MoSe heterojunction encapsulated in nitrogen-doped carbon polyhedron and further interconnected by three-dimensional nitrogen-doped carbon nanofibers (CoMoSe@NCP/NCFs) is ingeniously constructed.
View Article and Find Full Text PDFJ Phys Chem B
September 2024
Institute of Physics, Czech Academy of Sciences, Na Slovance 1999/2, Prague 8 182 00, Czech Republic.
Although polymers are widely used in laser-irradiation research, their microscopic response to high-intensity ultrafast XUV and X-ray irradiation is still largely unknown. Here, we comparatively study a homologous series of alkenes. The XTANT-3 hybrid simulation toolkit is used to determine their damage kinetics and irradiation threshold doses.
View Article and Find Full Text PDFNat Mater
December 2024
Cavendish Laboratory, University of Cambridge, Cambridge, UK.
Conducting polymers are mixed ionic-electronic conductors that are emerging candidates for neuromorphic computing, bioelectronics and thermoelectrics. However, fundamental aspects of their many-body correlated electron-ion transport physics remain poorly understood. Here we show that in p-type organic electrochemical transistors it is possible to remove all of the electrons from the valence band and even access deeper bands without degradation.
View Article and Find Full Text PDFAppl Radiat Isot
September 2024
School of Science, Hunan University of Technology, Zhuzhou 412007, Hunan, PR China. Electronic address:
In the current article, the spectral properties and electron collision (total and magnetic) excitation cross sections of ions taking placed in quantum plasmas are investigated. These cross sections are further used to study the polarization and angular distribution characteristics of the de-excitation radiation X-ray spectra, which play an important role in basic theoretical research, the diagnosis of the plasma environment, and the design of optical devices. To do so, a distorted wave method within the relativistic Dirac-Coulomb atomic structure scheme is suggested.
View Article and Find Full Text PDFJ Colloid Interface Sci
November 2024
Yangtze Delta Region Institute (Huzhou), University of Electronic Science and Technology of China, Huzhou 313001, PR China; School of Materials and Energy, University of Electronic Science and Technology of China, Chengdu 611731, PR China. Electronic address:
Lithium (Li) metal anode (LMA) is one of the most promising anodes for high energy density batteries. However, its practical application is impeded by notorious dendrite growth and huge volume expansion. Although the three-dimensional (3D) host can enhance the cycling stability of LMA, further improvements are still necessary to address the key factors limiting Li plating/stripping behavior.
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