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http://dx.doi.org/10.1073/pnas.20.6.383 | DOI Listing |
ACS Appl Mater Interfaces
January 2025
Graduate Institute of Electronics Engineering, National Taiwan University, Taipei 10617, Taiwan.
Graphene-based supercapacitors have gained significant attention due to their exceptional energy storage capabilities. Despite numerous research efforts trying to improve the performance, the challenge of experimentally elucidating the nanoscale-interface molecular characteristics still needs to be tackled for device optimizations in commercial applications. To address this, we have conducted a series of experiments using substrate-free graphene field-effect transistors (SF-GFETs) and oxide-supported graphene field-effect transistors (OS-GFETs) to elucidate the graphene-electrolyte interfacial arrangement and corresponding capacitance under different surface potential states and ionic concentration environments.
View Article and Find Full Text PDFUltramicroscopy
March 2025
Department of Materials, University of Oxford, 16 Parks Road, Oxford OX1 3PH, United Kingdom. Electronic address:
The rich information of electron energy-loss spectroscopy (EELS) comes from the complex inelastic scattering process whereby fast electrons transfer energy and momentum to atoms, exciting bound electrons from their ground states to higher unoccupied states. To quantify EELS, the common practice is to compare the cross-sections integrated within an energy window or fit the observed spectrum with theoretical differential cross-sections calculated from a generalized oscillator strength (GOS) database with experimental parameters. The previous Hartree-Fock-based and DFT-based GOS are calculated from Schrödinger's solution of atomic orbitals, which does not include the full relativistic effects.
View Article and Find Full Text PDFNanophotonics
July 2024
Inha University, Incheon, Republic of Korea.
Two-dimensional (2D) Dirac materials, e.g., graphene and transition metal dichalcogenides (TMDs), are one-atom-thick monolayers whose electronic behaviors are described by the Dirac equation.
View Article and Find Full Text PDFJ Chem Phys
December 2024
Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA.
The widely used thermal Hartree-Fock (HF) theory is generalized to include the effect of electron correlation while maintaining its quasi-independent-particle framework. An electron-correlated internal energy (or grand potential) is postulated in consultation with the second-order finite-temperature many-body perturbation theory (MBPT), which then dictates the corresponding thermal orbital (quasiparticle) energies in such a way that all fundamental thermodynamic relations are obeyed. The associated density matrix is of a one-electron type, whose diagonal elements take the form of the Fermi-Dirac distribution functions, when the grand potential is minimized.
View Article and Find Full Text PDFJ Chem Theory Comput
December 2024
Departamento de Química, Universidad Autónoma de Madrid, 28049 Madrid, Spain.
In this work, the two-center Dirac equation is solved numerically using an extension of an adapted B-spline basis set method previously implemented in relativistic atomic calculations (Fischer, C. F.; Zatsarinny, O.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!