Breakthrough of graphene dictates that decreasing dimensionality the semiconducting materials can generate unusual electronic structures, excellent mechanical, and thermal characteristics with remarkable stability. Silicene, germanene, stanene are next 2D stable counterparts other elements belonging to same group. Since these monolayers possess hexagonal symmetry, scientists had already explored possibility in post era whether symmetry was main utmost criterion for achieving Dirac cone. This...

Over the past decade, two-dimensional materials have gained a lot of interest due to their fascinating applications in field thermoelectricity. In this study, tetragonal monolayers group-V elements (T-P, T-As, T-Sb, and T-Bi) are systematically analyzed framework density functional theory combination with machine-learning approach. The phonon spectra, as well strain profile, dictate that these structures geometrically stable they potential candidates for experimental synthesis. Electronic...

In this article, we have systematically explored the electronic, optical and thermoelectric properties of tetragonal germanene (T-Ge) using first principles calculations. The ground state geometry pristine T-Ge is buckled exhibits nodal line semi-metallic behaviour. addition, proposed a tight binding (TB) model Hamiltonian that efficiently explains emergence double Dirac points at Fermi level T-Ge. Furthermore, hopping relation has been which both merge then annihilate resulting in direct...

Chiral lead halide perovskite (LHP) nanocrystals (NCs) have been attracting considerable interest for circularly polarized luminescence (CPL)-based optoelectronic applications. This study combined experimental and computational analyses to investigate how the dimensionality of 3D (cubic) 0D (quantum dots) influences tunable chiral emission CsPbBr3 LHP NCs. The circular dichroism (CD) spectra a significant blue shift from 508 406 nm. dissymmetry factors CD (gCD) change ±2.5 × 10–3 ±7.5 as...

Over the past few decades, Half-Heusler materials have garnered significant research attention for thermoelectric applications due to their cost-effectiveness, high thermal stability, mechanical strength, power factor (PF), nontoxicity and moderate efficiency. Here, using first-principles density functional theory combined with semiclassical Boltzmann transport equations, we systematically studied properties of nine Bi-based compounds, XYBi (where, X=Ti, Zr, Hf; Y=Co, Rh, Ir). We demonstrate...

Hippadine, an alkaloid of the Amaryllidaceae, produced reversible inhibition fertility in male rats. A decrease testicular weight and DNA content increase protein concentration indicated a fall relative proportion freshly divided cells. The weights accessory sex organs revealed continued production androgens. plausible mechanism for this biochemical function hippadine is envisaged.

The structural, electronic and thermal transport characteristics of novel carbon-based bilayer tetragonal graphene are systematically explored with a combination first-principles calculations machine-learning interatomic potential approaches.

Two-dimensional (2D) transition metal dichalcogenides (TMDs) and perovskites hold substantial promise for various optoelectronic applications such as light emission, photodetection, energy harvesting. However, each of these materials possesses certain limitations that can be overcome by synergistically combining them to form heterostructures, thereby unveiling intriguing optical properties. In this study, we present an uncomplicated technique crafting a van der Waals (vdW) heterojunction...

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTIndole-3-alkylamine Bases of Desmodium pulchellumS. Ghosal and B. MukherjeeCite this: J. Org. Chem. 1966, 31, 7, 2284–2288Publication Date (Print):July 1, 1966Publication History Published online1 May 2002Published inissue 1 July 1966https://pubs.acs.org/doi/10.1021/jo01345a047https://doi.org/10.1021/jo01345a047research-articleACS PublicationsRequest reuse permissionsArticle Views199Altmetric-Citations25LEARN ABOUT THESE METRICSArticle Views are...

In this report, we systematically explore the mechanical characteristics and electric field-induced thermoelectric optical responses of tetragonal germanene (T-Ge). Elastic investigations confirm stability T-Ge structure its softness relative to graphene. Pristine exhibits node line semi-metallic behaviour with double Dirac cones. presence an field, band gains a semiconducting nature. These electronic modifications also bring significant enhancement in spectra. The figure merit for reaches...

We theoretically investigate the full thermal transport and optoelectronic features of two estab-
lished van der Waals (vdW) heterostructures based on recently synthesized monolayer C 3 N
using machinery Boltzmann GW+BSE calculations. Among structures,
C N/hBN tends to exhibit a small indirect gap semiconducting nature with an admixture com-
paratively higher 'flat-and-dispersiveness' band degeneracy in conduction minima.
A nearly comparable high thermoelectric power...

Abstract Effects, in albino rats, of a processed shilajit (Sh‐P), native (Sh‐N) (unprocessed water‐soluble fraction), and preparation consisting mixture ethyl acetate extractives (EE) fulvic acids (FAs) from Sh‐P, were evaluated (i) an active avoidance, (ii) elevated plus‐maze (iii) open‐field behaviour paradigms. This study was undertaken to appraise the validity use as Ayurvedic medha rasayan (enhancer learning memory). Sh‐P its constituents (EE‐FAs) significantly augmented acquisition...

Over the past decade, quantum dots (QDs), based on two-dimensional (2D) materials have gained interest due to their numerous applications in field of photonics. In this study, tetragonal silicene (T-Si) and germanene (T-Ge) QDs with different shapes sizes are systematically analyzed within ab initio framework. All these energetically favorable well suited for experimental design. particular, QD structures exhibit a range electronic energy gaps depending upon specific morphology, which leads...

Abstract Based upon Hubbard U corrected density functional theory (DFT), the electronic and optical responses of multiferroic Bismuth ferrite (BiFeO 3 ; BFO) have been critically explored. Treating BFO as a strongly correlated insulating system, parameter is considered for accurate description localised Fe-3 d states. However, state not sufficient 2 p states O atoms are greatly influenced by Similar parameters well O-2 considered. An effective value around 4.3 eV only solves band gap...

Abstract Phagraphene is a theoretically predicted hybridized, se‐mimetallic allotrope of graphene. The semimetallic nature phagraphene robust against external strain and B‐N co‐doping. Being experimentally realized in nanoribbon form, this quite fascinating the present scenario. In theoretical study, optical thermoelectric properties its site‐dependent co‐doped analogous configurations are critically investigated employing density functional theory. As consequence inherent rectangular...

Abstract Harvesting solar light efficiently and effective photo‐induced charge separated photocatalysts becoming an immense demand for environment salvation. Herein, the one‐step solvothermal method has been employed to synthesize Zn 1– x Ru S nanoparticles (NPs). A systematic study photocatalytic degradation of Methylene blue (MB) first time in doped ZnS system carried out with visible (LED) irradiation. Density functional theory structural, electronic properties transfer mechanism...