相关论文: Defect properties of Sn- and Ge-doped ZnTe: Suitab…

By means of the first-principles density functional theory (DFT), I2-II-IV-VI4 type Cu-based quaternary chalcogenides Cu 2 XSiS 4 (X = Ge, Sn, and Pb) have been thoroughly investigated. We report the study of Ge and Sn substitution in the…

We investigate the dynamics of Zn diffusion in MOVPE-grown AlGaInP/GaInP systems by the comparison of different structures that emulate the back-surface field (BSF) and base layers of a GaInP subcell integrated into an inverted…

We report the effect of co-doping of In and Ga at low concentrations on the structural, electronic, and thermoelectric properties of SnTe based compositions $Sn_{1.03-2x}In_{x}Ga_{x}Te$ (x = 0, 0.01, 0.02, 0.04) prepared by the solid-state…

The electronic and optical properties of CdGa2Te4 and ZnGa2Te4 were studied using first-principles DFT calculations. Band gaps were calculated using the GGA-PBESol functional. Both materials show promise for photovoltaic applications…

Zinc Phosphide ($Zn_3P_2$) could be the basis for cheap and highly efficient solar cells. Its use in this regard is limited by the difficulty in n-type doping the material. In an effort to understand the mechanism behind this, the…

A density functional study is presented of the interstitial Zn$_i$, Ge$_i$, and N$_i$ in ZnGeN$_2$. Corrections to the band gap are included by means of the LDA+U method. The Zn and Ge interstitials are both found to strongly prefer the…

We considered modification of the defect density of states in CdTe as influenced by a buffer layer in ZnO(ZnS, SnSe)/CdS/CdTe solar cells. Compared to the solar cells employing ZnO buffer layers, implementation of ZnSe and ZnS resulted in…

A comparative study of wurtzite ZnO doped by rare earth elements (Tm, Yb, Ce) have been investigated using density functional theory (DFT) based on the full-potential linearized augmented plane wave orbital (FP-LAPW) method, as implemented…

To reduce the prominent VOC-deficit that limits kesterite-based solar cells efficiencies, Ge has been proposed over the recent years with encouraging results, as the reduction of the non-radiative recombination rate is considered as a way…

We present evidence that band gap narrowing at the heterointerface may be a major cause of the large open circuit voltage deficit of Cu$_2$ZnSnS$_4$/CdS solar cells. Band gap narrowing is caused by surface states that extend the…

Zinc sulfide (ZnS) based materials are widely used in many applications. Yet, due to a lack of detailed knowledge of defect energy levels, the electrical properties and luminescence mechanisms in the materials still give rise to debate.…

By application of the ac admittance spectroscopy method, the defect state energy distributions were determined in CdTe incorporated in thin film solar cell structures concluded on ZnO, ZnSe, and ZnS buffer layers. Together with the…

In the present study we discuss the effect of variation in the number of monolayers $n$ on the electronic and optical properties of superlattices (SLs) (ZnSe)$_n$/(ZnTe)$_n$. The total energies were calculated by the full-potential linear…

We report calculated, electronic and related properties of wurtzite and zinc blende gallium nitrides (w-GaN, zb-GaN). We employed a local density approximation (LDA) potential and the linear combination of atomic orbital (LCAO) formalism.…

The rapid growth of the solar energy industry has produced a strong demand for high performance, efficient photoelectric materials. Many ferroelectrics, composed of earth-abundant elements, are useful for solar cell applications due to…

This study investigates the novelty of the crystalline and electronic structure of (Mg,Ti)-doped ZnO and the co-doped Zn1-x-yMgxTiyO structures using Gaussian and plane-wave basis sets, as implemented in the CP2K code. The goal of…

Zinc phosphide (Zn3P2) has had a long history of scientific interest largely because of its potential for earth-abundant photovoltaics. To realize high-efficiency Zn3P2 solar cells, it is critical to understand and control point defects in…

We explore CdTe fractional monolayer quantum dots (QDs) in a ZnCdSe host matrix for potential application in an intermediate band solar cell device. Careful consideration has been taken during the initiation of the growth process of QDs by…

Here, we report the first experimental demonstration of InN nanowire solar cells deposited by RF sputtering with a bandgap energy of 1.78 eV. By adding an amorphous Si (a-Si) buffer to the n-InN/p-Si structure, we have improved the…

SnSe monolayer with orthorhombic Pnma GeS structure is an important two-dimensional (2D) indirect band gap material at room temperature. Based on first-principles density functional theory calculations, we present systematic studies on the…