相关论文: Use of local density approximation within range se…
In this work, layered perovskite SBN was investigated in a new doped form for hole as well as electron transport layer (HTL/ETL) in perovskite solar cells. This work was targeted to conclude the effect of tin doping in lanthanum-bismuth…
Nb3O2(OH) has emerged as a highly attractive photocatalyst based on its chemical stability, energetic band positions, and large active lattice sites. Compared to other various photocatalytic semiconductors, it can be synthesized easily.…
Due to the photo-instability and hysteresis of TiO$_2$ electron transport layer (ETL) in perovskite solar cells (PSCs), novel electron transport materials are highly demanded. Here, we show ideal band alignment between La-doped BaSnO$_3$…
PbPdO$_2$, a ternary compound containing the lone-pair active ion Pb$^{2+}$ and the square-planar d$^8$ Pd$^{2+}$ ion, has attracted recent interest because of the suggestion that its electronic structure, calculated within density…
Perovskite SrTiO3 (STO) is an attractive photocatalyst for solar water splitting, but suffers from a limited photoresponse in the ultraviolet spectral range due to its wide band gap. By means of hybrid density functional theory…
Electronic properties and atomic structures of W, N, S, W/N, and W/S dopings of anatase TiO_2 have been systematically investigated using the density functional theory (DFT). The exchange and correlation effects have been treated with Heyd,…
We report the (111) facet-engineered cubic phase SnO2 (C-SnO2) as a novel electron transport layer (ETL) for triple-cation mixed-halide Cs0.05(FA0.83MA0.17)0.95Pb(I0.83Br0.17)3 perovskite solar cells (PSCs). The C-SnO2 layer was prepared…
Solar cells based on inorganic perovskite CsPbI3 are promising candidates to resolve the challenge of operational stability in the field of perovskite photovoltaics. For stable operation, however, it is crucial to thoroughly understand the…
A lead-free, completely inorganic, and non-toxic Cs2TiBr6-based double perovskite solar cell (PSC) was simulated via SCAPS 1-D. La-doped BaSnO3 (LBSO) was applied as the electron transport layer (ETL) unprecedentedly in the simulation study…
Through a combination of thin film growth, hard X-ray photoelectron spectroscopy (HAXPES), scanning transmission electron microscopy/electron energy loss spectroscopy (STEM/EELS), magneto-transport measurements, and transport modeling, we…
The neutron powder diffraction, specific heat, thermal conductivity, and Raman scattering measurements were presented to study the interplays of lattice, phonons and electrons of the Sr-doping Ba1-xSrxSnO3 (x was less than or equal to 0.1).…
The longstanding problem of interpretation of satellite structures in core level photoemission spectra of metallic systems with a low density of conduction electrons is addressed using the specific example of Sb-doped SnO$_2$. Comparison of…
The transparent conducting oxide SnO2 is a wide bandgap semiconductor that is easily n-type doped and widely used in various electronic and optoelectronic applications. Experimental reports of the electron mobility of this material vary…
Herein we present a comparative study among different mesoporous electron transporter layers (ETLs), namely nanometric m-TiO2, m-SnO2 and m-SnO2 quantum dots (QDs), deposited by spray coating method. The experimental data correlated with…
Oxygen vacancies are often attributed to changes in the electronic transport for perovskite oxide materials (ABO$_3$). Here, we use density functional theory (DFT) coupled with non-equilibrium Green's functions (NEGF) to systematically…
New generation Indium based lead-free Cs2InAgCl6 is a promising halide material in photovoltaic applications due to its good air stability and non-toxic behavior. But its wide band gap (>3 eV) is not suitable for solar spectrum and hence…
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…
The structural, elastic, electronic and optical (x = 0) properties of doped Sn1-xBixO2 and Sn1-xTaxO2 (0 \leq x \leq 0.75) are studied by using the first-principles pseudopotential plane-wave method within the local density approximation.…
Oxide two-dimensional electron gases (2DEGs) promise high charge carrier concentrations and low-loss electronic transport in semiconductors such as BaSnO$_{3}$ (BSO). ACBN0 computations for BSO/SrNbO$_{3}$ (SNO) interfaces show…
Both theoretical and experimental analysis are carried out to understand the physical properties of the fascinating electronic and optical properties of antimony tungstate (Sb$_2$WO$_6$). The nanosized ($\sim 40-80~nm$) material is produced…