Electronic structure as a research area focuses on the quantum-mechanical description of electrons in atoms, molecules, solids, and nanostructures, and on how this governs their structural, spectroscopic, and transport properties. It encompasses the development and application of theoretical methods such as density functional theory, wavefunction-based quantum chemistry, many-body perturbation theory, and quantum Monte Carlo to compute energies, charge densities, band structures, and excited states. The field underpins predictive materials design, catalysis, electronic and photonic device engineering, and strongly correlated systems research by linking microscopic electron behavior to macroscopic observables and emergent phenomena.
Metal nanoclusters are tiny, crystalline structures up to two nanometers (2 x 10-9 meters) in diameter that contain a few to hundreds of metal atoms. Understanding the precise assembly of metal nanoclusters is paramount ...
Nanomaterials
Sep 26, 2023
0
101
Scientists from the Institute of Organic Chemistry and Biochemistry Prague, the Institute of Physics of the Czech Academy of Sciences, and Palacký University Olomouc, have once again successfully uncovered the mysteries of ...
Nanomaterials
Aug 29, 2023
0
474
Nothing in the world is perfect. This is also true in materials research. In computer simulations, one often represents a system in a highly idealized way; for example, one calculates the properties that an absolutely perfect ...
Nanophysics
Aug 29, 2023
0
123
Researchers in the National Graphene Institute (NGI) at The University of Manchester have revisited one of the most ancient materials on Earth—graphite—and discovered new physics that has eluded the field for decades.
Nanophysics
Jul 27, 2023
0
172
Passive mode-locked technology utilizes saturable absorbers' nonlinear absorption effect to regulate the cavity's loss and phase to generate mode-locked pulses. Graphene has a unique energy bandgap structure, a low absorption ...
Nanomaterials
Jul 4, 2023
0
138
Graphene nanoribbons (GNRs) have attracted much attention due to their unique electronic structures with high tunability of physical structures.
Nanomaterials
Jun 16, 2023
0
88
No one will ever be able to see a purely mathematical construct such as a perfect sphere. But now, scientists using supercomputer simulations and atomic resolution microscopes have imaged the signatures of electron orbitals, ...
Nanophysics
May 15, 2023
0
953
For two decades, physicists have tried to directly manipulate the spin of electrons in 2D materials like graphene. Doing so could spark key advances in the burgeoning world of 2D electronics, a field where super-fast, small ...
Nanophysics
May 11, 2023
0
160
Recently, two-dimensional (2D) boron sheets—borophenes—have drawn great interest from materials scientists because of their similarity to graphene. However, understanding of how the material can be stable in the 2D form is ...
Nanomaterials
Apr 27, 2023
0
109
Prof. Ding Junfeng and his team from the Hefei Institutes of Physical Science (HFIPS) of the Chinese Academy of Science, together with Prof. Zhang Genqiang from the University of Science and Technology of China, have achieved ...
Nanophysics
Feb 27, 2023
0
90
