Related papers: Improving the Optical and Thermoelectric Propertie…
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…
Here, the structural, electronic and optical properties of the GaP1-xSbx/Si tandem materials association are determined in view of its use for solar water splitting applications. The GaPSb crystalline layer is grown on Si by Molecular Beam…
Zinc Oxide is a thoroughly studied wide-bandgap semiconductor possessing excellent optical and electronic properties at room temperature. The renewed interest in this material has been generated by doping with various impurities in order to…
There is evidence that interface recombination in Cu2ZnSnS4 solar cells contributes to the open-circuit voltage deficit. Our hybrid density functional theory calculations suggest that electron-hole recombination at the Cu2ZnSnS4/CdS…
Sulfide chalcopyrite, Cu(In,Ga)S2, having wide bandgap (larger than 1.5 eV), favorable optoelectronic properties, and high stability, is a promising top-cell absorber for tandem applications. Adapting device structures optimized for 1.0 -…
We discuss the applicability of the pseudopotential-like self-interaction correction (pSIC) to the study of defect energetics and electronic structure of In2O3. Our results predict that substitutional (at oxygen sites) and interstitial (at…
Solar-driven water electrolysis requires high-performance photoelectrodes that exhibit excellent photoabsorption, superior charge transport, and optimized thermal management. In this work, we conducted a first-principles investigation to…
The discovery of graphene has put the spotlight on other layered materials including transition metal dichalcogenites (TMD) as building blocks for novel heterostructures assembled from stacked atomic layers. Molybdenum disulfide, MoS2, a…
TiO$_2$ anatase has its significant importance in energy and environmental research. However, the major drawback of this immensely popular semi-conductor is its large bandgap of 3.2 eV. Several non-metals have been doped experimentally for…
In this study, we present a detailed investigation of kagome superconductors CsV3Sb5 single crystal and its Ta-doped variant, Cs(V0.86Ta0.14)3Sb5, through specific heat measurements. Our results show a clear suppression of the charge…
Photonic integrated circuits currently use platform intrinsic thermo-optic and electro-optic effects to implement dynamic functions such as switching, modulation and other processing. Currently, there is a drive to implement field…
Influence of composition and external hydrostatic pressure on the structural, electronic, and optical properties of the CuGa1-xAlxS2 (x=0, 0.25, 0.5, 0.75, 1.0) chalcopyrite semiconductor was analyzed by means of the first-principles…
Topological materials have attracted considerable attention for their potential in broadband and fast photoresponse, particularly in the infrared regime. However, the high carrier concentration in these systems often leads to rapid…
Two dimensional materials such as graphene and transition metal dichalcogenides (TMDs) are promising for optical modulation, detection, and light emission since their material properties can be tuned on-demand via electrostatic doping. The…
Ab-initio calculations have been performed to study the geometry and electronic structure of boron (B) and nitrogen (N) doped graphene sheet. The effect of doping has been investigated by varying the concentrations of dopants from 2 % (one…
Titanium-based oxides are abundant, chemically stable, non-toxic, and highly versatile materials, with applications ranging from photovoltaics to catalysis. For rutile and anatase phases of Titanium dioxide (TiO2), the bandgap ranges from…
We report the doping high concentration of tetravalent Ge4+ ions (5 mol % for x = 0.05 to 30 mol % for x = 0.30) at the Fe3+ sites of Fe2-xGexO3 system by chemical coprecipitation route. The charge state of Fe and Ge ions has been modified…
We study the effect of boron (B) and Phosphorous (P) co-doping on electronic and optical properties of graphitic carbon nitride (g-C$_3$N$_4$ or GCN) monolayer using density functional simulations. The energy band structure indicates that…
Signatures of superconductivity at elevated temperatures above $T_c$ in high temperature superconductors have been observed near 1/8 hole doping for photoexcitation with infrared or optical light polarized either in the CuO$_2$-plane or…
The magnetic Weyl semimetal Co$_3$Sn$_2$S$_2$ is extensively investigated due to its giant anomalous Hall effect (AHE).Recent studies demonstrate that the AHE can be effectively tuned by multi-electron Ni doping.To reveal the underlying…