Reduced Graphene Oxide–Ag3PO4 Heterostructure: A Direct Z‐Scheme Photocatalyst for Augmented Photoreactivity and Stability

A visible light driven, direct Z‐scheme reduced graphene oxide–Ag₃PO₄ (RGO–Ag₃PO₄) heterostructure was synthesized by means of a simple one‐pot photoreduction route by varying the amount of RGO under visible light illumination. The reduction of graphene oxide (GO) and growth of Ag₃PO₄ took place simultaneously. The effect of the amount of RGO on the textural properties and photocatalytic activity of the heterostructure was investigated under visible light illumination. Furthermore, total organic carbon (TOC) analysis confirmed 97.1 % mineralization of organic dyes over RGO–Ag₃PO₄ in just five minutes under visible‐light illumination. The use of different quenchers in the photomineralization suggested the presence of hydroxyl radicals ( ^. OH), superoxide radicals ( ^. O₂^?), and holes (h⁺), which play a significant role in the mineralization of organic dyes. In addition to that, clean hydrogen fuel generation was also observed with excellent reusability. The 4 RGO–Ag₃PO₄ heterostructure has a high H₂ evolution rate of 3690 μmol h^?1 g^?1, which is 6.15 times higher than that of RGO.     

Cobalt–iron decorated tellurium nanotubes for high energy density supercapacitor

We report the synthesis of cobalt-iron (Co–Fe) decorated tellurium nanotubes (Te NTs) using semiconductive Te NTs as a sacrificial template, following a wet chemical method. The interplay of Co and Fe precursor concentrations incorporated with Te NT, residual hydrazine hydrate, and the negative surface charge of Te NT plays a significant role in obtaining various bimetallic telluride structures. The one-dimensional (1-D) structure of Co–Fe decorated Te NTs with Te NTs in the backbone provides superior conductivity and exhibits high electrochemical performance with battery type electrode behavior. A negative surface charge value of ?18.9 mV for Te NTs is obtained due to the presence of an anionic surfactant as sodium dodecyl sulfate (SDS) forms a bilayer on Te NTs. To tune the energy density performance, the Co–Fe decorated Te NTs electrode is combined with the electric double-layer capacitors (EDLC) type electrode activated carbon (AC). The asymmetric assembly shows an excellent specific capacitance of 179.2 F/g (48.7 mAh/g) at a current density of 0.9 A/g in 4 M KOH electrolyte. More importantly, it exhibits a maximum energy density of 62.1 Wh/kg at a power density of 1,138.2 W/kg under a potential window of 1.58 V. This potential finding shows the significant applicability of Te NTs as a template for the synthesis of bimetallic tellurides with unique morphologies. The synergistic effect from multiple metals and anisotropic morphology is beneficial for energy storage applications.     

Can Li Atoms Anchored on Boron- and Nitrogen-Doped Graphene Catalyze Dinitrogen Molecules to Ammonia? A DFT Study

The most successful electrochemical conversion of ammonia from dinitrogen molecule reported to date is through a Li mediated mechanism. In the framework of the above fact and that Li anchored graphene is an experimentally feasible system, the present work is a computational experiment to identify the potential of Li anchored graphene as a catalyst for N₂ to NH₃ conversion as a function of (a) minimum number of Li atoms needed for anchoring on graphene sheets and (b) the role of chemical modification of graphene surfaces. The studies bring forth an understanding that Li anchored graphene sheets are potential catalysts for ammonia conversion with preferential adsorption of N₂ through end-on configuration on Li atoms anchored on doped and pristine graphene surfaces. This mode of adsorption being characteristic of Nitrogen Reduction Reaction (NRR) through enzymatic pathway, examination of the same followed by analysis of electronic properties demonstrates that tri-Li atoms (Tri Atom Catalysts, TACs) are more efficient as catalysts for NRR as compared to two Li atoms (Di Atom Catalysts, DACs). Either way, the rate determining step was found to be *NH₂→*NH₃ step (mixed pathway) with ΔG_max=1.02 eV and *NH₂−*NH₃→*NH₂ step (enzymatic pathway) with ΔG_max=1.11 eV for 1B doped TAC and DAC on graphene sheet, respectively. Consequently, this work identifies the viability of Li anchored graphene based 2-D sheets as hetero-atom catalyst for NRR.     

Void growth in single crystal Copper-an atomistic modeling and statistical analysis study

One of the failure mechanisms in ductile materials is growth and coalescence of pre-existing voids. In view of this, we attempt to obtain atomistic insights into the prevailing mechanisms of void growth in a representative ductile material, namely Copper, using molecular dynamics simulations. In addition to shedding light on the observed length scale effects and dislocation mechanisms, we also elucidate how atomistic simulations can inform continuum-based models of failure and provide fodder for bridging different length scales. By performing a series of over 150 molecular dynamics simulations, we also try to decode the interplay between mechanical properties and void growth, and investigate the role of heterogeneity in void distribution (in terms of void size and placement) in affecting the strength of the material. Coupled with a comprehensive global sensitivity analysis technique, we explore configuration–property relationships in a subset of vast parameter space and highlight the importance of random nature of void distribution (along with some critical statistical parameters) in any successful theory of fracture.     

Model for modulated and chaotic waves in zero-Prandtl-number rotating convection

The effects of time-periodic forcing in a few-mode model for zero-Prandtl-number convection with rigid body rotation is investigated. The time-periodic modulation of the rotation rate about the vertical axis and gravity modulation are considered separately. In the presence of periodic variation of the rotation rate, the model shows modulated waves with a band of frequencies. The increase in the external forcing amplitude widens the frequency band of the modulated waves, which ultimately leads to temporally chaotic waves. The gravity modulation, on the other hand, with small frequencies, destroys the quasiperiodic waves at the onset and leads to chaos through intermittency. The spectral power density shows more power to a band of frequencies in the case of periodic modulation of the rotation rate. In the case of externally imposed vertical vibration, the spectral density has more power at lower frequencies. The two types of forcing show different routes to chaos.      

Directed percolation phase transition at the onset of STI in an inhomogeneous coupled map lattice

A model for inhomogeneously coupled logistic maps is considered to find some critical exponents in the transition from inhomogeneous steady state to spatiotemporal chaos through spatiotemporal intermittency. The laminar state in the model is described by inhomogeneous steady state with spatial period two. We obtain a complete set of static exponents which match with the corresponding directed percolation (DP) values in (1+1) dimension. We also find four nonuniversal spreading exponents in which three exponents are in agreement with DP values. The model in which absorbing state is inhomogeneous steady state, contributes a new example in evidence of Pomeau's [18] conjecture that the onset of STI in a deterministic system belongs to DP universality class.     

Enhancement of magnetic ordering temperature in iron substituted ytterbium manganate (YbMn1−xFexO3)

Oxides of the type YbMn_1−xFe_xO₃; x≤0.3 showing multiferroic behavior have been synthesized by the solid state route. These oxides crystallize in the hexagonal structure known for the parent YbMnO₃ with the c/a ratio increasing with Fe substitution. The distortion of the MnO₅ polyhedra (tbp) decreases and the Mn-O-Mn bonds in the a-b plane become shorter with Fe-substitution. Magnetic ordering is observed from the low temperature neutron diffraction study. The compounds were found to be antiferromagnetic and the ordering temperature T_N increased from 82 K for pure YbMnO₃ to 95 K for YbMn_0.7Fe_0.3O₃. Variable temperature dielectric measurements (15-110 K) show an anomaly in the dielectric constant at temperatures close to the antiferromagnetic ordering temperature for all the compositions, showing a unique correlation between the magnetic and electric field. The increase in the ordering temperature in YbMn_1−xFe_xO₃ is explained on the basis of increase in covalence of Mn/Fe-O-Mn/Fe bonds (shorter) with iron substitution.     

Field induced spin reorientation transition in epitaxial La0.5Sr0.5CoO3 films

Strained epitaxial La_0.5Sr_0.5CoO₃ films are grown on LaAlO₃ substrate. Structural, electrical, and magnetic measurements were carried out. Out of plane lattice parameter of the film undergoes compressive strain and the coercivity is enhanced. The zero field cooled (ZFC) magnetization curve for a field applied parallel to the film plane shows a jump, which suggests a spin reorientation transition (SRT), while ZFC magnetization for a field applied perpendicular to the film plane is featureless. This jump in magnetization is shifted to higher temperatures when the magnetic field is reduced. The SRT is attributed to the strain in the film.     

Emission spectra of terahertz quantum cascade laser

We calculated energy levels, wave functions, and energies of radiative transitions in terahertz quantum cascade lasers based on GaAs/Al_0.15Ga_0.85As heterostructures. Current-voltage characteristics and current dependences of laser radiation intensity were measured, and the maximum operating temperatures reaching 85 K were determined. Radiation spectra of quantum cascade lasers were measured for different temperatures, and the effect of intensity “pumping” from low-frequency modes to high-frequency modes was found to happen in the case of an increase in the current and time delay of the signal capture, which is explained by heating of the sample during a pulse of the current. Application of the lasers for registration of impurity photoconductivity signals in semiconductor heterostructures was demonstrated.