Opto-electronic and thermoelectric properties of MgIn2X4 (X = S, Se) spinels via ab-initio calculations

First principle study of lead‐free double perovskites halidesRb2Pd(Cl/Br)6for solar cells and renewable energy devices: A quantumDFT

“…The trends of κ are like σ as presented in Figure 6C, D. The heat energy flow per unit depends upon the heat efflux of heat to a temperature gradient, whose mathematical expression dxq = À kdT where q is the heat efflux. 54 We have only considered the electronic κ vs μ (eV) and T (k). In p-type region, the maximum peaks of both compounds are at À0.02 eV with intensity 1.6/3.51Â10 14 W/mKs for Rb 2 PdCl/Br 6 .…”

Constructing a Novel Surfactant-free MoS2 Nanosheet Modified MgIn2S4 Marigold Microflower: An Efficient Visible-Light Driven 2D-2D p-n Heterojunction Photocatalyst toward HER and pH Regulated NRR

“…2D-2D nanocomposites also provide stronger interfacial interaction as well as shortening the diffusion distance of photogenerated electron hole units. − With the going industry, the investigation over the development of other active 2D materials, our main focus went on the ternary metal chalcogenides semiconductors with the general chemical formula A II B 2 III X 4 VI termed as thiospinel type materials proves to be a potential applicant in photocatalytic fields because of the presence of high-surface-energy quarter spherical defects and cationic holes in its crystal structure. , Among them magnesium based chalcogenides i.e. MgIn 2 S 4 (MIS) with chalcogen group S or Se, crystallize in cubic phase spinel, and the structure is consisting of both octahedron as well as tetrahedron in which Mg and In are positioned at the center of tetrahedron and octahedron, respectively . Benefiting from their outstanding electronic as well as optical properties and their extraordinary chemical stability, it spreads over tremendous experimental studies and hence recently these compounds trigger a number of photocatalytic applications such as pollutant degradation, H 2 evolution, etc. , But the photocatalytic activities of ternary metal chalcogenide materials are somehow limited as comparison to other efficient photocatalysts on account of the inferior electron–hole separation properties, photocorrosion of the materials after a number of photocatalytic cycles which results from the poor cycle stability test. , For the improvement of its shortcomings, a number of modern approaches are implemented by coupling with other semiconductors, which is an effective way.…”

“…MgIn 2 S 4 (MIS) with chalcogen group S or Se, crystallize in cubic phase spinel, and the structure is consisting of both octahedron as well as tetrahedron in which Mg and In are positioned at the center of tetrahedron and octahedron, respectively. 30 Benefiting from their outstanding electronic as well as optical properties and their extraordinary chemical stability, it spreads over tremendous experimental studies and hence recently these compounds trigger a number of photocatalytic applications such as pollutant degradation, H 2 evolution, etc. 28,31 But the photocatalytic activities of ternary metal chalcogenide materials are somehow limited as comparison to other efficient photocatalysts on account of the inferior electron−hole separation properties, photocorrosion of the materials after a number of photocatalytic cycles which results from the poor cycle stability test.…”

Investigation of structural, elastic, thermophysical, magneto‐electronic, and transport properties of newly tailored Mn‐based Heuslers: A density functional theory study

“…The TE and spintronics are the off‐shoots of half‐metallic ferromagnetism (HMF) used in semiconductors possessing ferromagnetic (FM) character, magnetic tunnel junctions, typically uses the data in semantic memory Scheme and some material that exhibits both FM and semiconductor properties offers the exciting outlook of combining nonvolatile magnetic storage, and conventional semiconductor electronics . TE materials are the alternate sources of energy for regulating the consumption of the trending fossil fuels due to their ability to convert waste heat into electricity. The TE properties are strongly depending upon the electronic properties mostly on the band gap of the material .…”