This study investigates the energy loss spectra and static charge structure factors of AA-stacked bilayer graphene within the Holstein model using the Green's function approach. The dynamical charge susceptibility exhibits two robust plasmonic modes with fixed energies at approximately 1.5t (acoustic) and 3.2t (optical). These peak positions remain remarkably stable against variations in electron-phonon coupling strength, magnetic field, interlayer bias voltage, and doping level, whereas their intensities are strongly modulated by these parameters. The static charge structure factor decreases with increasing temperature, coupling strength, and magnetic field, indicating suppression of long-range charge order. These findings provide new insights into plasmon-phonon hybridization in AA-stacked bilayer graphene and offer guidance for the design of tunable plasmonic devices in graphene-based optoelectronics and terahertz technologies.
This study presents a systematic investigation of nanostructured Bi10Sb30Se60 chalcogenide thin films and their heterojunctions with n-type silicon for advanced optoelectronic and photovoltaic applications. Structural analysis confirmed a stable polycrystalline morphology with grain sizes of 88.54 nm and a surface roughness of approximately 36 nm, promoting enhanced light scattering and carrier interaction. Optical measurements revealed a direct band gap of 2.38 eV, a high carrier concentration to effective mass ratio, and significant thirdorder nonlinear optical susceptibility, indicating strong photonic response. The fabricated Bi10Sb30Se60/n-Si heterojunction devices exhibited pronounced rectifying behavior, efficient charge transport, and low leakage current, demonstrating their suitability for photodetection and solar energy conversion. To further optimize material performance, an Adaptive Neuro Fuzzy Inference System was implemented to model the optical and electrical characteristics. The optimized networks showed excellent agreement with experimental data, achieving minimal prediction errors and reliable extrapolation capability. The integration of experimental validation with intelligent predictive modeling provides a robust framework for accelerating material design and improving the efficiency of next-generation solar cell technologies.
Metal-organic frameworks (MOFs) containing alkali metal ions are emerging as attractive materials due to their low toxicity, flexible coordination chemistry and compatibility with functional materials. In this work, a Cesium-based metal-organic framework (Cs-MOF) was synthesized using benzene-1,2,4,5-tetracarboxylic acid (BTCA) as the organic linker forming (Cs-BTCA) which subsequently combined with polyaniline and nanoporous graphene to form a composite material. Structural and morphological characterizations confirm MOF formation and effective integration of the conductive components. The resulting Cs-MOF/PANI/NPG composite demonstrates synergistic response arising from the porous framework, redox-active polymer, and high-surface-area containing carbon network. The specific capacity confers by the Cs-BTCA and Cs-BTCA/PANI/NPG were 387C/g and 570C/ g at 1.5 A/g respectively via three-electrode configuration. The Cs-BTCA/PANI/NPG//AC based hybrid super-capacitor exhibited maximum specific capacity was 364C/g obtained at 0.5 A/g current density. The obtained energy density of 80.8 Wh/kg. The capacitive and diffusive controlled contributions were evaluated by applying both linear and quadratic models. The quadratic model provides better fitting as compared to linear model. This study highlights a viable strategy for designing MOF-based composites for advanced energy storage applications and electrochemical devices.
We uncover a non-monotonic charge-transfer mechanism in the Ba-I system driven by pressure-induced sequential orbital activation. First-principles calculations combined with CALYPSO structure searches reveal structural and electronic evolution from 0 to 800 GPa, predicting three previously unknown stable compounds: BaI3, BaI, and Ba2I, with dynamical stability confirmed by ab initio molecular dynamics. Notably, charge transfer in Ba-I displays a non-monotonic evolution: Ba -> I transfer decreases from similar to+1.5 e at ambient pressure to +0.1 e around 500 GPa, then increases again to similar to+0.3 e at higher pressures. At intermediate pressures, broadening and partial occupation of Ba d states draw electron density from I p orbitals, suppressing net charge transfer. At higher pressures, activation of I d states and redistribution of Ba p electrons drive a re-entrant increase in charge transfer. This reveals an orbital-competition mechanism governing non-monotonic charge transfer in ionic compounds under high pressure.
We analyse the thermodynamic results for the diatomic molecule BN obtained in a recent paper. The authors failed to obtain the model parameters from experimental data and chose some of them arbitrarily. An unlucky guess led to a potential that does not support bound states. They omitted the contributions of the rotational and translational degrees of freedom in the calculation of the canonical partition function. They chose a reduced mass for the nuclei of the order of the electron mass and a dissociation energy several orders of magnitude smaller that the accepted value. In spite of all these mistakes the authors managed to obtain theoretical results in fairly good agreement with experimental data.
