相关论文: Fermi Level and Light Driven Defect Generation in …
The study focuses on NMC811, a promising material for high-capacity batteries, and investigates the challenges associated with its use, specifically the formation of the Cathode Electrolyte Interphase (CEI) layer due to chemical reactions.…
Recently, significant progress in the development of III-V/Si dual-junction solar cells has been achieved. This not only boosts the efficiency of Si-based photovoltaic solar cells, but also offers the possibility of highly efficient green…
The formation of passivating films is a common aging phenomenon, for example in weathering of rocks, silicon, and metals. In many cases, a dual-layer structure with a dense inner and a porous outer layer emerges. However, the origin of this…
Level density $\rho(E,N,Z)$ is derived for a nuclear system with a given energy $E$, neutron $N$, and proton $Z$ particle numbers, within the semiclassical extended Thomas-Fermi and periodic-orbit theory beyond the Fermi-gas saddle-point…
The nature of enhanced photoemission in disordered and amorphous solids is an intriguing open question. A point in case is light emission in silicon, which occurs when the material is porous or nanostructured, but the effect is absent in…
Electronic structure and cohesive properties of metastable hexagonal AgB_{2} and silver-deficient borides Ag_{0.875}B_{2} and Ag_{0.750}B_{2} were investigated by means of the projected augmented wave method in the framework of the density…
We study the influence of anisotropy, treated as a dimensional crossover between 1D and 3D system, on the topological instability induced by a (self-consistent) uniaxial periodic potential. The mechanism on which the instability is based…
Silver dimers were fabricated on Ag(111) by single-atom manipulation using the tip of a cryogenic scanning tunnelling microscope. An unoccupied electronic resonance was observed to shift toward the Fermi level with decreasing atom-atom…
Theoretical calculations, based on hybrid exchange density functional theory, are used to show that in graphene a periodic array of defects generates a ferromagnetic ground state at room temperature for unexpectedly large defect…
Hydrogen point defects in silicon still hold unsolved problems, whose disclosure is fundamental for future advances in Si technologies. Among the open issues is the mechanism for the condensation of atomic hydrogen into molecules in Si…
In Si nanowire (SiNW) solar cells enhanced light confinement property in addition to decoupling of charge carrier collection and light absorption directions plays a significant role to resolve the draw backs of bulk Si solar cells. In this…
Non-symmorphic materials have recently been predicted to exhibit many different exotic features in their electronic structures. These originate from forced band degeneracies caused by the non-symmorphic symmetry, which not only creates the…
Using first-principles calculations, we identify the origin of the observed charge density wave (CDW) formation in a layered kagome metal CsV$_3$Sb$_5$. It is revealed that the structural distortion of kagome lattice forming the trimeric…
Hydrogenated amorphous silicon (a:Si-H) has recently been recognized as a highly nonlinear CMOS compatible photonic platform. We experimentally demonstrate the generation of a supercontinuum (SC) spanning over 500 nm in a-Si:H photonic wire…
Electronic density of states (DOS) at Fermi level has been investigated in ultrathin Ag films grown on Si(111)-(7x7) down to the two dimensional limit of a single atomic layer. Measurement of DOS at Fermi level by scanning tunneling…
The theoretical analysis of photovoltaic conversion efficiency of highly effective silicon solar cells (SC) is performed for n-type and p-type bases. The case is considered when the Shockley-Read-Hall recombination in the silicon bulk is…
In the present Ph.D. Thesis we report an experimental investigation on the effects of gamma- and beta-ray irradiation and of subsequent thermal treatment on many types of a-SiO2 materials, differing in the production methods, OH- and…
In this paper we present kinetic properties such as migration and decomposition barriers of hydrogen defects in silicon calculated by Density Functional Theory (DFT) based methods. We study the following defects: H atoms (H) and ions (H+,…
We have used tight-binding molecular-dynamics simulations to investigate the role of point defects (vacancies and interstitials) on structural relaxation in amorphous silicon. Our calculations give unambiguous evidence that point defects…
We present first principles calculations of the electronic properties of trigonal selenium with emphasis on photovoltaic applications. The band gap and optical absorption spectrum of pristine selenium is calculated from many-body…