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Learning from machine learning: the case of band-gap directness in semiconductors
Having a direct or indirect band gap can influence the potential applications of a semiconductor, for indirect band gap materials are usually not...
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Band Gap Tuning of AGNRs Within the Atmospheric IR Windows
Adjusting the band gap of armchair graphene nanoribbons (AGNRs) in the IR detection area is so noticeable due to the importance of atmospheric IR...
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Theoretical Insights into Band Gap Tuning Through Cu Do** and Ga Vacancy in GaSe Monolayer: A First-Principles Perspective
Gallium selenide (GaSe) has become increasingly popular in the field of optoelectronics due to its suitable band gap. The layered structure of bulk...
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Nanocrystalline monocalcium aluminate “Krotite”: band gap engineering and near IR emission by selective excitation of native defects owing to annealing
This research deals with the synthesis of “Krotite”, i.e., monocalcium aluminate “CaAl 2 O 4 ”, using the citrate sol–gel method. Various complementary...
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A multidimensional approach to understanding wide band gap MgO: Structural, morphological, optical, and electron density insights
Magnesium oxide (MgO) nanomaterial was prepared via a straightforward co-precipitation method and subjected to comprehensive characterization....
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Accurate and efficient band-gap predictions for metal halide perovskites at finite temperature
We develop a computationally efficient scheme to accurately determine finite-temperature band gaps for metal halide perovskites belonging to the...
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Lead-Free Stable Wide-Band-Gap Double Perovskite with Absorption in the Visible Region
AbstractA semiconductor double perovskite oxide Y 2 CuTiO 6 with a wide band gap was synthesized by solid-state reaction. The compound was...
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Engineering the resistive switching properties of 2D WS2 memristor: role of band gap
WS 2 with different layers were prepared by liquid-phase cascade centrifugation and then applied to fabricate Ag/WS 2 /Cu memristors. The correlation...
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Remarkably high tensile strength and lattice thermal conductivity in wide band gap oxidized holey graphene C2O nanosheet
Recently, the synthesis of oxidized holey graphene with the chemical formula C 2 O has been reported (J. Am. Chem. Soc. 2024, 146, 4532). We herein...
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The effects of annealing temperature on the thickness, morphology, band gap energy, and photocatalytic performance of ZIF-8-derived ZnO/TiO2 thin films
Multi-oxide photocatalytic materials derived from metal organic frameworks (MOFs) are attracting widespread attention in recent years. The...
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Optical characteristics of the novel nanosized thin ZnGa2S4 films sprayed at different deposition times: Determination of optical band-gap energy using different methods
This article has been allocated to studying microstructural features and optical properties of the novel sprayed polycrystalline thin ZnGa 2 S 4 films....
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Monolayer indium selenide: an indirect bandgap material exhibits efficient brightening of dark excitons
Atomically thin indium selenide (InSe) exhibits a sombrero-like valence band, leading to distinctive excitonic behaviors. It is known that the...
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Development of low band gap layered Bi6FeNiTi3O18 aurivillius phase ceramics for ferroelectric memory and cathode for lithium-oxygen batteries applications
The layered multiferroic perovskite oxides are excellent functional materials for ferroelectric memory applications and also show application...
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Nonequilibrium VLS-grown stable ST12-Ge thin film on Si substrate: a study on strain-induced band engineering
The current work describes a novel method of growing thin films of stable crystalline ST12-Ge, a high pressure polymorph of Ge, on Si substrate by a...
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Theoretical characterization and computational discovery of ultra-wide-band-gap semiconductors with predictive atomistic calculations
First-principles calculations based on density-functional theory have become an established theoretical characterization toolkit to understand and...
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Tunable Band Gap and Raman Shifts of Two-Dimensional ReX2 (X=S, Se): Layer and Temperature Effect
ReX 2 (X=S, Se) have attracted great attention due to weak interlayer coupling and excellent properties. Herein, we put forward a theoretical model to...
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Band gap tailoring and photosensitivity study of Al-doped SnO2 nanocrystallites prepared by sol–gel technique
Electrical, optical and photosensitivity of aluminium-doped tin oxide (Al-SnO 2 ) nanocrystallites prepared by sol–gel technique and annealed at 400 °C...
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The Band-Gap Studies of Short-Period CdO/MgO Superlattices
Trends in the behavior of band gaps in short-period superlattices (SLs) composed of CdO and MgO layers were analyzed experimentally and theoretically...
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A study of the physical properties of GaN, GaP and their mixed ternary alloys for the applications in optoelectronics devices
In this study, for the concentrations of x =0.0, 0.25, 0.5, 0.75 and 1.0, the calculations of the physical properties of GaP 1– x N x mixed alloys are...
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Indirect to direct band gap crossover in two-dimensional WS2(1−x)Se2x alloys
In atomically thin transition metal dichalcogenide semiconductors, there is a crossover from indirect to direct band gap as the thickness drops to...
