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Two-dimensional (2D) semiconductors are likely to dominate next-generation electronics due to their advantages in compactness and low power consumption. However, challenges such as high contact resistance and inefficient doping hinder their…
High-pressure superhydrides have attracted much attention due to their high superconducting critical temperatures ($T_\text{c}$s). Herein, density functional theory (DFT) calculations are used to study the structures and properties,…
Although the two-dimensional model of random networks of metallic nanowires or carbon nanotubes is widely used, it significantly overestimates the number of contacts between elements compared to quasi-three-dimensional models. This, within…
We report a theory for analyzing nonlinear DC transport properties of mesoscopic or nanoscopic normal-superconducting (N-S) systems. Special attention was paid such that our theory satisfies gauge invariance. At the linear transport regime…
We review recent advances in the physics of strongly interacting charged systems functioning in water at room temperature. We concentrate on the phenomena which go beyond the framework of mean field theories, whether linear Debye-Huckel or…
Chemical pressure is an effective method to tune physical properties, particularly for diluted magnetic semiconductors (DMS) of which ferromagnetic ordering is mediated by charge carriers. Via substitution of smaller Ca for larger Sr, we…
The investigation of novel electronic phases in low-dimensional quantum materials demands for the concurrent development of new measurement techniques that combine surface sensitivity with high spatial resolution and high measurement…
The distribution of local charge excesses (DLC) in metallic alloys, previously obtained as a result of the analysis of order N electronic structure calculations, is derived from a variational principle. A phenomenological Charge Excess…
Carbon nanotube field-effect transistors operate over a wide range of electron or hole density, controlled by the gate voltage. Here we calculate the mobility in semiconducting nanotubes as a function of carrier density and electric field,…
We analyse the effects of applying an electric field on the critical temperature, Ts, at which superionicity appears in archetypal fast ion conductor CaF2 by means of molecular dynamics simulations. We find that the onset of superionicity…
In the last decade, a large number of studies at the experimental level in electrochemical systems for energy storage devices have been performed. However, theoretical approaches are highly desirable to understand the physicochemical…
Reasonably good agreement with the superconducting transition temperatures of the cuprate high-Tc superconductors can be obtained on the basis of an approximate phenomenological theory. In this theory, two criteria are used to calculate the…
Superconductivity has been investigated for over a century, but there are still open questions about what determines the critical current; the maximum current a superconductor can carry before switching to its normal state. For a given…
Fermi-Dirac statistics has been utilized by introducing the average ionization energy ($E_I$) as an additional anomalous energy gap in order to derive the two-dimensional concentration of charge carriers and the phenomenological resistivity…
With the increasing energy crisis and the prevalent concept of green sustainability, quantum dot materials have become a hot spot in the academic and industrial fields of chemistry. Due to unique, tailor-made photovoltaic properties based…
Nonlinear elements in a rectifying circuit can be used to harvest energy from thermal fluctuations either steadily or transitorily. We study an energy harvesting system comprising a small variable capacitor (e.g., free standing graphene)…
Density functional methods have been used to calculate the electronic properties of aligned smalldiameter single-walled carbon nanotubes under hydrostatic pressures. Abrupt pressure induced semiconductor-metal and metal-semiconductor…
A detailed analysis is given of the effects of common and recurring approximations used in conventional superconductivity theories on the condensation energy values, whose magnitudes are notoriously smaller than those of other energies as…
Room-temperature Coulomb blockade of charge transport through composite nanostructures containing organic inter-links has recently been observed. A pronounced charging effect in combination with the softness of the molecular links implies…
The electronic properties of TiO$_2$ nanostructure are explored using density functional theory. The adsorption properties of acetone on TiO$_2$ nanostructure are studied in terms of adsorption energy, average energy gap variation and…