Energy Change Research Articles

Removal of the bemacid blue E-TL using granular activated carbon from abundant biomass: adsorption isotherm, thermodynamic and kinetic studies

In this work, we were interested in the adsorption of an acid dye, Bemacid Blue E-TL by granular activated carbon based on olive stones. To shed light on the adsorption process, batch experiments were performed to study the effect of operating parameters on the adsorption process such as equilibrium time, GAC dose, pH, initial dye concentration, and temperature. The experimental results showed that the adsorption of the dye Bemacid Blue E-TL by GAC based on olive stones depends on the equilibrium time at 8 hours, the pH is 2 of the solution and the dose is 5 g.L-1. To explain the adsorption equilibrium, the experimental values were examined by Langmuir, Freundlich, and Temkin models. The equilibrium is perfectly described by the Langmuir model whose correlation coefficient is higher than 0.99. The maximum retained quantity of the Bemacid Blue E-TL is 55.6 mg.g-1. Different kinetic models such as pseudo-first order, pseudo-second order, and the intraparticle diffusion equation were used to evaluate the adsorption kinetics. The results of the kinetic modeling showed that the pseudo-second order fitted the data well, with a high coefficient of determination (R2 > 0.99) and intra-particle diffusion is not the only rate-limiting step. The thermodynamic parameter values enthalpy (ΔH°), entropy (ΔS°), and energy change (ΔG°) show that the adsorption processes are endothermic and spontaneous. The various results obtained are promising and encouraging to consider a more comprehensive study with the objective of showing that the adsorbent chosen for this study is effective and could be used as a low-cost adsorbent for acid dye removal.

Effect of alloying elements on zinc-induced liquid metal embrittlement in steels: A first-principles study

Liquid metal embrittlement (LME) induced by Zn melt in galvanized steels during spot-welding poses a significant challenge to the advancement of the automotive industry. A critical strategy to address this challenge is identifying promising alloying elements capable of mitigating LME. High-throughput first-principles calculations were employed to investigate the segregation behavior of 22 common alloying elements at the Σ5(310) grain boundary of iron and their impact on the grain boundary energy. The results indicate that volume distortion upon doping of the alloying elements predominantly influences their segregation behavior, while the weak bonding between Zn and Fe is responsible for the grain boundary embrittlement. Exploration of solute interaction between Zn and the other alloying element in the Fe grain boundary model reveals that the attraction between metallic doping elements and Zn correlates with both the elastic effects and the magnetic properties of the dopant, while the repulsion between non-metallic elements and Zn is primarily governed by the elastic effects. Separating the grain boundary strengthening energy into mechanical and chemical contributions shows that they correlate linearly with variations in volume of the doping site and changes in bond energy for bonds associated with the doping site at the grain boundary, respectively. Accordingly, the strengthening effect of the doping elements can be estimated by evaluating the induced changes in local volume and bond energies on grain boundaries. Furthermore, potential alloying elements to mitigate the Zn-induced LME are screened and discussed, with B and Mo being the most promising candidates.

Aluminum oxide droplet collisions: Molecular dynamics study

In this work, the induced coalescence mechanism and dynamic contact behavior of alumina (Al2O3) droplets at different impact velocities were investigated for the first time from a microscopic point of view by molecular dynamics (MD) methods through the analysis of axial speed, shrinkage, neck radius ratio, contact force, temperature, kinetic energy, surface energy, and the amount of change in the internal energy of the droplets. The results show that the minimum speed at which collisional coalescence of Al2O3 droplets occurs is 30 m/s. When the speed is lower than 30 m/s, the droplets undergo bounce phenomena due to the Coulomb force. Under the high-speed impact, the inertia force of Al2O3 droplets acts less than the surface tension and viscous resistance. The droplets don’t get squashed in the whole collision process. For the different initial velocities, the magnitude of the contact force on a unilateral droplet during the collision process does not always increase with speed. When the collision speed is not higher than 400[Formula: see text]m/s, the contact force on the droplets eventually stabilizes at about 0.28[Formula: see text]Kcal/(mol⋅Å), whereas this value is about 0.36[Formula: see text]Kcal/(mol⋅Å) and about 0.5[Formula: see text]Kcal/(mol⋅Å) for the intervals from 500[Formula: see text]m/s to 700[Formula: see text]m/s and from 800[Formula: see text]m/s to 1000[Formula: see text]m/s, respectively. The increase of the droplet’s initial speed has a limited contribution to the temperature of the system after the collision, and the amount of loss of the total energy (the sum of kinetic energy, surface energy, and internal energy changes) becomes more pronounced, even up to about 20% when the speed reaches 900[Formula: see text]m/s. At the same time, we predicted the Al2O3 melting point and compared it with the standard melting point with an error of 2%, proving the accuracy of the model. This work can strengthen our understanding of the industrial processes with applications in high-energy nanomaterials, rocket propellants, rocket structure design and performance optimization.

Reconstruction of Hourly FY-4A AGRI Land Surface Temperature under Cloud-Covered Conditions Using a Hybrid Method Combining Spatial and Temporal Information

Land Surface Temperature (LST) products obtained by thermal infrared (TIR) remote sensing contain considerable blank areas due to the frequent occurrence of cloud coverage. The studies on the all-time reconstruction of the cloud-covered LST of geostationary meteorological satellite LST products are relatively few. To accurately fill the blank area, a hybrid method for reconstructing hourly FY-4A AGRI LST under cloud-covered conditions was proposed using a random forest (RF) regression algorithm and Savitzky-Golay (S-G) filtering. The ERA5-Land surface cumulative net radiation flux (SNR) reanalysis data was first introduced to represent the change in surface energy arising from cloud coverage. The RF regression method was used to estimate the LST correlation model based on clear-sky LST and the corresponding predictor variables, including the normalized difference vegetation index (NDVI), the normalized difference water index (NDWI), surface elevation and slope. The fitted model was then applied to reconstruct the cloud-covered LST. The S–G filtering method was used to smooth the outliers of reconstructed LST in the temporal dimension. The accuracy evaluation was performed using the measured LST of the representative meteorological stations after scale correction. The coefficients of determination derived with the reference LST were all above 0.73 on the three examined days, with a bias of −1.13–0.39 K, mean absolute errors (MAE) of 1.46–2.4 K, and root mean square errors (RMSE) of 1.77–3.2 K. These results indicate that the proposed method has strong potential for accurately restoring the spatial and temporal continuity of LST and can provide a solution for the production and research of gap-free LST products with high temporal resolution.

Combustion Characteristics, Kinetics and Thermodynamics of Peanut Shell for Its Bioenergy Valorization

To realize the utilization of peanut shell, this study investigates the combustion behavior, chemical kinetics and thermodynamic parameters of peanut shell using TGA under atmospheric air at the heating rates of 10, 20, and 30 K/min. Results indicate that increasing the heating rate leads to higher ignition, burnout, and peak temperatures, as observed in the TG/DTG curves shifting to the right. Analysis of combustion performance parameters suggest that higher heating rates can enhance combustion performances. Kinetic analysis using two model-free methods, KAS and FWO, shows that the activation energy (Eα) ranges from 93.30 to 109.65 kJ/mol for FWO and 89.72 to 103.88 kJ/mol for KAS. The data fit well with coefficient of determination values (R2) close to 1 and the mean squared error values (MSE) less than 0.006. Pre-exponential factors using FWO range from 2.19 × 106 to 8.08 × 107 s–1, and for KAS range from 9.72 × 105 to 2.25 × 107 s–1. Thermodynamic analysis indicates a low-energy barrier (≤±6 kJ/mol) between activation energy and enthalpy changes, suggesting easy reaction initiation. Furthermore, variations in enthalpy (ΔH), Gibbs free energy (ΔG), and entropy (ΔS) upon conversion (α) suggest that peanut shell combustion is endothermic and non-spontaneous, with the generation of more homogeneous or well-ordered products as combustion progresses. These findings offer a theoretical basis and data support for the further utilization of agricultural biomass.

Boosting Solar‐Driven CO2 Conversion to Ethanol via Single‐Atom Catalyst with Defected Low‐Coordination Cu‐N2 Motif

In this paper, we report a high‐performance carbon nitride supported Cu single‐atom catalyst featuring defected low‐coordination Cu‐N2 motif (Cu‐N2‐V). Lead many recently reported photocatalysts and its Cu‐N3 and Cu‐N4 counterparts, Cu‐N2‐V exhibits superior photocatalytic activity for CO2 reduction to ethanol, delivering 69.8 μmol g‐1 h‐1 ethanol production rate, 97.8% electron‐based ethanol selectivity, and a yield of ~10 times higher than Cu‐N3 and Cu‐N4. Revealed by the extensive experimental investigation combined with the DFT calculation, the superior photoactivity of Cu‐N2‐V stems from its unique defected Cu‐N2 configuration. Firstly, Cu in Cu‐N2‐V exist in Cu+/Cu2+ dual valence states, although predominantly in Cu+. The Cu+ sites support CO2 activation and the Cu+/Cu2+ sites are conducive for strong *CO adsorption and subsequent *CO‐*CO dimerization enabling C‐C coupling. Secondly, the Cu sites in Cu‐N2‐V are rich in electrons and thus highly active. Together they dictate the rate‐determining step on CO2 photoreduction to ethanol and lower the Gibbs free energy change. Furthermore, the defected configuration also promotes light adsorption and charge separation efficiency. Collectively, these make Cu‐N2‐V an effective and high‐performance catalyst for solar‐driven CO2 conversion to ethanol. This study also reveals the valence state change of Cu in Cu‐N2‐V during the CO2 photoreduction reaction.

Boosting Solar-Driven CO2 Conversion to Ethanol via Single-Atom Catalyst with Defected Low-Coordination Cu-N2 Motif.

In this paper,we report a high-performance carbon nitride supported Cu single-atom catalyst featuring defected low-coordination Cu-N2 motif (Cu-N2-V). Lead many recently reported photocatalysts and its Cu-N3 and Cu-N4 counterparts, Cu-N2-V exhibits superior photocatalytic activity for CO2 reduction to ethanol, delivering 69.8 μmol g-1 h-1 ethanol production rate, 97.8% electron-based ethanol selectivity, and a yield of ~10 times higher than Cu-N3 and Cu-N4. Revealed by the extensive experimental investigation combined with the DFT calculation, the superior photoactivity of Cu-N2-V stems from its unique defected Cu-N2 configuration. Firstly, Cu in Cu-N2-V exist in Cu+/Cu2+ dual valence states, although predominantly in Cu+. The Cu+ sites support CO2 activation and the Cu+/Cu2+ sites are conducive for strong *CO adsorption and subsequent *CO-*CO dimerization enabling C-C coupling. Secondly, the Cu sites in Cu-N2-V are rich in electrons and thus highly active. Together they dictate the rate-determining step on CO2 photoreduction to ethanol and lower the Gibbs free energy change. Furthermore, the defected configuration also promotes light adsorption and charge separation efficiency. Collectively, these make Cu-N2-V an effective and high-performance catalyst for solar-driven CO2 conversion to ethanol. This study also reveals the valence state change of Cu in Cu-N2-V during the CO2 photoreduction reaction.

Effect of non-metal doping on the optoelectronic properties of ZrS2/ZrSe2 heterostructure under strain: a first-principles study.

In this paper, we systematically studied the effects of non-metallic element (B, C, N, O, F) doping and biaxial stretching on the photoelectric properties of ZrS2/ZrSe2 heterostructures by using the first-principles calculation method based on density functional theory. The results show that the p-type doping is realized by B, C, and N atom doping, and the n-type doping is realized by O and F atom doping. The doping of B and C atoms produces impurity energy levels in the band gap, which affects the conductivity of the heterostructure. The band gap of N and O atom-doped heterostructures increases under tensile strain, but it is still a direct band gap. The analysis of the optical properties of the heterostructures shows that the doping of non-metallic atoms can adjust the optical absorption rate and reflectivity of the heterostructures. Under the action of tensile strain, the optical properties of the doped heterostructures have changed significantly in the low-energy region. This article provides a theoretical basis for the future application of ZrS2/ZrSe2 heterostructures. This paper uses the first-principles calculation method based on density functional theory. The PBE exchange-correlation functional based on generalized gradient approximation (GGA) is selected for the specific calculation, and the crystal structure is geometrically optimized by the ultrasoft pseudopotential method. It is verified that when the cutoff energy of the ZrS2/ZrSe2 heterostructure is 500 eV, the K-point grid is selected to be 10 × 10 × 2 with the lowest energy, so the cutoff energy is selected to be 500 eV. The K-point grid is selected to be 10 × 10 × 2. The convergence limits for structural optimization are as follows: the maximum force between atoms is 0.01 eV/Å, the convergence threshold of the maximum energy change is set to 10-9 eV/atom, and the convergence threshold of the maximum displacement is 0.001 Å. In order to avoid the influence of atomic periodic motion between different atomic layers, a vacuum layer of 20 Å is added in the vertical direction. Considering the interaction of vdW between the interfaces, the DFT-D2 method is used to verify. The optical properties were calculated by the random phase approximation method, and the K-point grid was selected as 12 × 12 × 2.

Hierarchical-hollow architecture NiSe2 nanosheets for overall water splitting

Electrolytic water splitting (EWS), regarded as a sustainable and promising strategy for hydrogen production, has received huge attention in recent years. However, the practical application of EWS is greatly hindered by the sluggish kinetics of the oxygen evolution reaction (OER). Herein, we proposed an efficient strategy for the synthesis of hierarchical hollow nickel selenide with significant HER and OER electrocatalytic activity. The as-synthesized NiSe2 possesses low overpotential of ∼85 mV at the current density of 10 mA/cm2 for the HER in 0.5 M H2SO4 and ∼270 mV for OER in 1 M KOH. Importantly, when employed into full water splitting on membrane electrode assembly, it merely requires an ultralow voltage of 1.73 V to achieve the current density of 1 A/cm2, outperforming most of the reported other Ni/Ni-Se based structures. Density Functional Theory (DFT) simulations confirm that the hierarchical hollow NiSe2 structure facilitates the reduction of the Gibbs free energy change of H- and O-containing intermediates in the HER/OER process, which promotes the formation of intermediates and thus accelerates the catalytic kinetics. This work offers an important structure engineering route to develop high catalytic performance materials and sheds light on the promotion of electrocatalytic activity for clean energy utilization.

Multi-scale analysis of virgin/aged/recycled asphalt self-healing performance based on molecular simulation and micro-macro tests

Conventional macro-micro experiments have not fully elucidated the thermal self-healing mechanism of virgin, aged, and recycled asphalt at the molecular level at different temperatures. Molecular dynamics and macro-micro experiments were used to investigate the multi-scale mechanism of thermal self-healing of nano-cracks in three asphalt types. The molecular characteristics (concentration, energy changes, and molecular diffusion properties) of the three asphalt types were simulated during self-healing using molecular dynamics simulations Macro-micro experimental tests were conducted to validate the simulation results. The self-healing process was analyzed at multiple scales, and correlation analysis between the self-healing parameters and the macroscopic healing characteristics was performed at nano- and microscopic scales. The results showed that the relative concentration increased significantly from 0 mol/L to 0.6 mol/L in the 60–80 Å range during the long-distance self-healing phase (0–40 ps), promoting the rapid reorganization of molecules around cracks and the formation of self-healing networks. The van der Waals forces were the dominant forces affecting self-healing, and the transition from repulsive to attractive forces promoted the self-healing of cracks. This study clarifies the thermal self-healing mechanism of asphalt cracks at multiple scales, ensuring the sustainable use of asphalt materials.

Sustainable Energy Consumption Analysis through Data Driven Insights

Energy is the backbone of our society, supporting our daily activities and driving progress. It plays a crucial role in shaping our modern way of life. The future of global energy consumption is influenced by many factors, including demographics, economic dynamics, technological developments, political actions, environmental demands and geopolitical considerations. As the world's population continues to grow and urbanize, the demand for energy is increasing. At the same time, rapid technological innovations are shaping the energy landscape and changing production, distribution and consumption patterns. In the midst of this development, it is very important to optimize energy consumption, accurately anticipate needs, curb climate change, limit emissions of greenhouse gasses, fight against pollution and promote sustainability. This study includes an in-depth analysis of historical consumption trends, assessing the multiple benefits of renewable energy integration, estimating carbon emissions, formulating practical policy recommendations and providing empirically informed insights. The work is based on various data obtained from platforms such as Kaggle and using advanced visualization techniques such as Power BI dashboards. The study provides invaluable perspectives on future energy needs, the penetration of renewable sources into the energy mix, and the strategic needs to achieve sustainable energy use.

On the Formation of Trapped Electron Radiation Belts at Ganymede

AbstractThis study presents evidence of stably trapped electrons at Jupiter's moon Ganymede. We model energetic electron pitch angle distributions and compare them to observations from the Galileo Energetic Particle Detector to identify signatures of trapped particles during the G28 encounter. We trace electron trajectories to show that they enter Ganymede's mini‐magnetospheric environment, become trapped, and drift around the moon for up to 30 min, in some cases stably orbiting the moon multiple times. Conservation of the first adiabatic invariant partially contributes to energy changes throughout the electrons' orbits, with additional acceleration driven by local electric fields, before they return to Jupiter's magnetosphere or impact the surface. These trapped particles manifest as an electron population with an enhanced flux compared to elsewhere within the mini‐magnetosphere that are detectable by future spacecraft.

Optimization of Reduction Time for Chemically Synthesized rGO

Introduction: This article presents structural and morphological analysis for graphene oxide (GO) synthesized via Hummers' method and for reduced Graphene Oxide (rGO) prepared by chemical reduction. Graphene Oxide is synthesized from graphite powder at room temperature. Hydrazine hydrate is used as a reducing agent to reduce the accumulated GO. Method: To understand the impact of reduction time on structural parameters of produced rGO, three different time limits, i.e. 4, 5, and 6 hrs at 800 °C are used. FTIR spectra show the presence of all functional groups to confirm the authenticity of rGO samples. The XRD peaks are utilized to calculate different structural parameters for all the samples to identify the effect of reduction time. A change in the band gap energy may be noticed from UV-Vis absorption spectra. Result: It indicates that with the increase in reduction time, the absorption edge shifts to a lower wavelength value. FESEM micrographs reveal a flake-like random growth of rGO with prominent wrinkled structures, which is a signature of graphene-like 2D material. Conclusion: Hence, from the structural and absorption studies, it can be concluded that an increase in reduction time will produce smaller rGO flakes in the Hummers synthesis method.

The impact of social media on adolescent energy drink consumption.

This study aimed to investigate the effects of social media on energy drink consumption among adolescents in Saudi Arabia. An online survey including demographic characteristics (3 questions), consumption patterns of energy drinks (5 questions), and Social Media Effects Scale (4 questions) was completed by 860 Saudi Arabian adolescents. Data were analyzed using Statistical Package for the Social Science version 29, using descriptive statistics and correlation to measure the relationship between social media and energy drink consumption. The results showed that nearly 82% of the adolescent respondents consumed energy drinks once to twice a week. Social media was the most common source of information on energy drinks (42.0%). The major findings of this study showed a positive correlation (r = .592, P > .05) between social media use and consumption of energy drinks. The study found that the average score for the Social Media Effects Scale was 5.75 out of 8, or 71.87%, indicating that social media influences the energy drinks consumption of roughly two-thirds of the study participants. Tailored action plans are required to raise awareness of the negative effects of energy drinks and change consumption patterns among the adolescent population due to a lack of knowledge and poorly controlled legislation on energy drinks.

Ruthenium sorption onto Fe3O4@MnO2: equilibrium, kinetic and thermodynamic study

Core–shell magnetic adsorbent Fe3O4@MnO2 was prepared and successfully used to ruthenium adsorption from aqueous solutions with 98% efficiency. The adsorption isotherms, kinetic and thermodynamic parameters for Ru(III) sorption onto Fe3O4@MnO2 were studied via a batch adsorption system. Adsorption isotherm models such as: Langmuir, Freundlich and Temkin were tested while the kinetic adsorption data were analyzed by pseudo-first order, pseudo-second order, and Weber-Morris models. It has been found that the adsorption process of Ru(III) onto Fe3O4@MnO2 can be describe by a Freundlich model whereas mechanism of sorption is presented better by kinetic Weber–Morris model. Freundlich adsorption isotherm constant is equal Kf = 30.62 mg/g and heterogenity factor n = 3.58. Sorption rate constant is k3 = 0.288 mg/(g·min1/2) and intraparticle diffusion rate constant C = 0.174 mg/g. Thermodynamic parameters such as free Gibb’s energy change (ΔG°), enthalpy change (ΔH°), entropy change (ΔS°) and energy activation Ea were determined. Calculated value of activation energy is equal 25.75 kJ/mol. The adsorption process of Ru(III) was found to be both spontaneous and thermodynamically preferable.

H.E.S.S. observations of the 2021 periastron passage of PSR B1259-63/LS 2883

is a gamma-ray binary system that hosts a pulsar in an eccentric orbit, with a 3.4 year period, around an O9.5Ve star (LS 2883). At orbital phases close to periastron passages, the system radiates bright and variable non-thermal emission, for which the temporal and spectral properties of this emission are, for now, poorly understood. In this regard, very high-energy (VHE) emission is especially useful to study and constrain radiation processes and particle acceleration in the system. We report on an extensive VHE observation campaign conducted with the High Energy Stereoscopic System, comprised of approximately 100 hours of data taken over five months, from p -24$ days to $t_ p +127$ days around the system's 2021 periastron passage (where $t_ p $ is the time of periastron). We also present the timing and spectral analyses of the source. The VHE light curve in 2021 is consistent overall with the stacked light curve of all previous observations. Within the light curve, we report a VHE maximum at times coincident with the third X-ray peak first detected in the 2021 X-ray light curve. In the light curve -- although sparsely sampled in this time period -- we see no VHE enhancement during the second disc crossing. In addition, we see no correspondence to the 2021 GeV flare in the VHE light curve. The VHE spectrum obtained from the analysis of the 2021 dataset is best described by a power law of spectral index $ stat sys $, a value consistent with the spectral index obtained from the analysis of data collected with H.E.S.S. during the previous observations of the source. We report spectral variability with a difference of $ stat sys $ at $95 <!PCT!>$ confidence intervals, between sub-periods of the 2021 dataset. We also detail our investigation into X-ray/TeV and GeV/TeV flux correlations in the 2021 periastron passage. We find a linear correlation between contemporaneous flux values of X-ray and TeV datasets, detected mainly after $t_ p +25$ days, suggesting a change in the available energy for non-thermal radiation processes. We detect no significant correlation between GeV and TeV flux points, within the uncertainties of the measurements, from $ t_p-23$ days to $ t_p+126$ days. This suggests that the GeV and TeV emission originate from different electron populations.

Bi-functional dynamic tunable absorber and highly robust polarisation converter for graphene-based metasurface

In this study, a graphene-based metasurface structure with bi-functional dynamically tunable absorber and highly robust polarisation converter is proposed. The device primarily consists of two functional tiers. The top tier of cyclically patterned graphene and the back of a fully reflective gold mirror, which are separated by an intermediate tier of SiO2 dielectric to form a typical sandwich structure. The proposed device is numerically calculated by finite element method (FEM), and the equivalent R-L-C circuit model is built to validate the calculated results. The proposed reflective-type circularly to circularly polarisation converter (RCCPC) has a wide operating band of 0.8 THz (2.12 THz to 2.92 THz) and can obtain near unity polarisation conversion rate (χPCR). It is worth noting that the device is also immune to structural parameter deviations. In addition, due to the excited charge of monolayer graphene has the cyclotron property in a static magnetic field, the cross-polarised component of the polarisation converter can be increased by applying a vertical magnetic field, which provides a feasible method to improve the energy conversion rate of the device. At the same time, the device can also serve as a narrowband dual channel absorber, with 95 % absorption effect. In addition, the tunability of graphene is based on the correlation between conductivity and Fermi energy. As the Fermi energy changes, the working frequency of the device is shifted, realizing the dynamic tunable absorber and polarisation converter. It is believed that these findings provide a way to implement a variety of novel multifunctional photonic device, including polarisation imaging, electromagnetic energy absorption, and integrated photonic devices.

First realization of LHW-plasma coupling feedback control for long pulse operation in EAST

Abstract In order to sustain good LHW (lower hybrid wave) -plasma coupling for long pulse plasma operation, it is the first time that the coupling feedback control is designed and realized in EAST through PID (Proportion Integration Differentiation) method by choosing RC (reflection coefficient of LHW power) as the reference for the feedback of gas puffing, including one pulse test and multi-pulse experiments. Experiments show that such feedback control can work correctly and keeps good LHW-plasma coupling effectively for long time, suggesting the possibility of feedback control application on LHW-plasma coupling in long pulse plasma. Furthermore, during the process of feedback control of multi-pulse SMBI (supersonic molecular beam injection), the stored energy changes from 29kJ to 58kJ, and the energy confinement factor (H89) increases from 0.98 to 1.45, implying a positive effect of coupling feedback on plasma performance. Experiments between SMBI puffing and the gas-puffing fed by piezoelectric valve near the antenna are further investigated, showing that the response time on RC with SMBI is faster than that by the piezoelectric valve and that SMBI puffing in the electric drift side of LHW antenna is a little quicker than that in the ion drift side. Studies suggest that such feedback control is effective for long pulse LHW-plasma coupling and the gas puffing by SMBI in the electric drift side of LHW antenna could offers an effective way to sustain good LHW coupling in steady state operation in future. Further optimization will be continued later.

Strain-modulated defect engineering of two-dimensional materials

Strain- and defect-engineering are two powerful approaches to tailor the opto-electronic properties of two-dimensional (2D) materials, but the relationship between applied mechanical strain and behavior of defects in these systems remains elusive. Using first-principles calculations, we study the response to external strain of h-BN, graphene, MoSe2, and phosphorene, four archetypal 2D materials, which contain substitutional impurities. We find that the formation energy of the defect structures can either increase or decrease with bi-axial strain, tensile or compressive, depending on the atomic radius of the impurity atom, which can be larger or smaller than that of the host atom. Analysis of the strain maps indicates that this behavior is associated with the compressive or tensile local strains produced by the impurities that interfere with the external strain. We further show that the change in the defect formation energy is related to the change in elastic moduli of the 2D materials upon introduction of impurity, which can correspondingly increase or decrease. The discovered trends are consistent across all studied 2D materials and are likely to be general. Our findings open up opportunities for combined strain- and defect-engineering to tailor the opto-electronic properties of 2D materials, and specifically, the location and properties of single-photon emitters.

Growth of L asparagine monohydrate doped potassium dihydrogen phosphate semiorganic crystals and its structural, thermal and optical properties

A novel semiorganic crystal is harvested by doping organic amino acid L asparagine monohydrate (LAM) with inorganic compound Potassium dihydrogen phosphate (KDP) by adopting slow evaporation method. Rietveld refinement of the XRD data was performed and the structural study exhibits single phase nature of the LAM doped KDP (LAM-KDP) crystals with a slight decrease in c-axis of the unit cell parameters. Other crystallographic parameters such as crystallite size and strain were also evaluated. The interaction of LAM with KDP was studied from FT-IR analysis by detecting functional groups. The constituting elements of the crystal were identified by energy dispersive X-ray (EDX) analysis. Etching study has been employed to study surface morphology of these crystals. From UV–vis transmittance data, optical band gap and different optical constants like Urbach energy, dielectric constants, electrical and optical conductivities were evaluated. Optical transparency of the LAM-KDP crystals is observed to increase. The third order nonlinear susceptibility χ(3) and nonlinear refractive index n2 of the grown crystals have been predicted using empirical Miller's rule. The value of χ(3) has increased from 1.87 × 10−13 esu to 4.29 × 10−13 esu due to LAM doping. Change in enthalpy (ΔH), change in Gibb's free energy (ΔG) and activation energy Ea during chemical reaction were calculated by thermogravimetric analysis (TGA). Thermal decomposition characteristics of the crystals were analyzed by differential scanning calorimetry (DSC). The high transparency of LAM-KDP crystals in the entire visible spectrum and larger values of nonlinear susceptibility χ(3) and nonlinear refractive index n2 make the synthesized crystal applicable for NLO and optoelectronic devices applications.