bluuebunny/crossref_metadata_2025_split huggingface dataset:
Opportunities and challenges for 2D heterostructures in battery applications: a computational perspective
Authors: Browne Stephen , Waghmare Umesh V , Singh Anjali 
Published: March 2022

Abstract
With an increasing demand for large-scale energy storage systems, there is a need for novel electrode materials to store energy in batteries efficiently. 2D materials are promising as electrode materials for battery applications. Despite their excellent properties, none of the available single-phase 2D materials offers a combination of properties required for maximizing energy density, power density, and cycle life. This article discusses how stacking distinct 2D materials into a 2D heterostructure may open up new possibilities for battery electrodes, combining favourable characteristics and overcoming the drawbacks of constituent 2D layers. Computational studies are crucial to advancing this field rapidly with first-principles simulations of various 2D heterostructures forming the basis for such investigations that offer insights into processes that are hard to determine otherwise. We present a perspective on the current methodology, along with a review of the known 2D heterostructures as anodes and their potential for Li and Na-ion battery applications. 2D heterostructures showcase excellent tunability with different compositions. However, each of them has distinct properties, with its own set of challenges and opportunities for application in batteries. We highlight the current status and prospects to stimulate research into designing new 2D heterostructures for battery applications.
Maize starch derived boron doped carbon spheres via facile solvothermal route as the photoluminescence sensor for determination of pH and Cr(VI)
Authors: Zhang Wenzhi , Hao Lijuan , Shang Luwen , Chai Dong-feng , Gao Yueyue , Li Jinlong , Zhao Ming , Liu Rong , Zhang Zhuanfang , Dong Guohua 
Published: March 2022

Abstract
In this work, a kind of boron doped carbon spheres (B-CSs) was successfully synthesized utilizing maize starch as carbon source and boric acid as dopant via facile solvothermal method. The chemical structure of the prepared B-CSs was systemically investigated by TEM, FT-IR, XRD, XPS and EDS. The synthesized B-CSs feature spherical structure with average size of ∼254 nm and exhibit strong photoluminescence (PL) with maximum emission at a wavelength of ∼453 nm under irradiation at 350 nm, leading to a quantum yield of 6.2%. Furthermore, the aqueous pH and Cr(VI) has a significantly various impact on the PL intensity of B-CSs, which can be flexibly utilized as the PL sensor for detection aqueous pH and Cr(VI) in aqueous. Particularly, the B-CSs have a desirable sensitivity and selectivity for detection of Cr(VI) with a low detection limit of ∼0.34 μmol l−1. Conclusively, our work provides a novel and dual-functional fluorescent sensor for detection of the pH and toxic metal ions in water environment.
Application of MoS2-FeS functional carrier loaded Ni single-atom catalysts on HER: first principle
Authors: Dong Shizhi , Li Yanshuai , Hu Xudong , Sun Shiyin , Yan Bing , Hu Hongyu , Zhang Xing , Wang Zeliang , Guo Lin 
Published: March 2022

Abstract
The stability of functional carriers single-atom catalysts can be effectively guaranteed by using stable mineral materials to support low dimensional catalytic materials. In this paper, the theoretical calculation of electrochemical hydrogen evolution reaction (HER) of the composite functional single-atom catalysts supported by single-atom Ni was carried out using first-principles method. And the original structure of MoS2, amorphous structure and S-vacancy structure are studied. Through the analysis and discussion of electronic properties, adsorption energy and active sites, it is found that Ni@Amorphous MoS2-FeS has excellent effect of hydrogen evolution in acidic environment, ΔG
H is 0.312 eV, and the other two structures supporting Ni single-atom also have excellent HER properties in a wide range of pH. This design broadens the research idea of single-atom catalysts carriers and provides a new direction for the research and development of electrocatalytic materials.
Enhanced performance of asymmetric supercapacitor based on NiZn-LDH@NiCoSe2 electrode materials
Authors: Cai Bin , Li Jialun , Wang Liying , Li Xuesong , Yang Xijia , Lü Wei 
Published: March 2022

Abstract
While supercapacitors have been widely studied as the next generation of energy storage devices, to develop active electrode materials for enhancing device performance is still challenging. Herein, we fabricated asymmetric supercapacitors based on NiZn-Layered double hydroxide (LDH) @NiCoSe2 hierarchical nanostructures as electrode materials. The NiZn-LDH@NiCoSe2 composites are deposited on Ni foam by a two-step strategy, in which NiZn-LDH nanosheets were firstly grown on Ni foam by hydrothermal method, and then NiCoSe2 particles were prepared by electrodeposition. Due to the synergistic effect between NiZn-LDH and NiCoSe2, excellent device performance was achieved. In a three-electrode system, the NiZn-LDH@NiCoSe2 exhibits a specific capacitance of 2980 F g−1 at 1 A g−1. Furthermore, the asymmetric supercapacitor of NiZn-LDH@NiCoSe2//activated carbon (AC) device was assembled, which exhibits the energy density of 49.2 Wh kg−1 at the power density of 160 W kg−1, with the capacity retention rate is 91% after 8000 cycles. The results indicates that NiZn-LDH@NiCoSe2 is a promising candidate as electrode materials for efficient energy storage devices.
3D modelling of coupled electromagnetic-mechanical responses in REBCO coils involving tape inhomogeneity
Authors: Niu Mengdie , Yong Huadong , Zhou Youhe 
Published: March 2022

Abstract
Electromagnetic and mechanical properties are crucial components of high-temperature superconducting magnet in high-field applications. In this research, in order to predict the multi-field behaviors of REBCO coils during the ramping process, the coupled electromagnetic-mechanical model is constructed with consideration of the strain and magnetic field dependences of the critical current of coated conductors (CCs). The 3D modelling is used to characterize the longitudinal in-homogenous critical current of a CC, which also allows for handling the coil with local defects. To verify the reliability of the coupled model, a comparison of numerical simulations with experiments for a small REBCO coil is first performed with special attention on the hoop strain evolution during the magnetization process. On this basis, the coupled model is then utilized to study the influences of local critical current non-uniformity defined by a Gaussian statistical distribution. The numerical analysis shows that, the tape inhomogeneity has an obvious impaction on decreasing the critical current of REBCO coil. And in high-field scenario, the calculated critical current of coil is highly reduced when the mutual interaction between electromagnetic and mechanical fields is considered. Afterwards, a detailed comparative study is carried out in studying the screening current effects of REBCO coil with and without taking the tape inhomogeneity into account. Finally, the effects of cooling-down process, co-winding materials and local defects are investigated to understand their role in electromagnetic-mechanical response of high-field REBCO coils.
Generation of pure spin-valley beams at controllable angles by gate voltage in monolayer molybdenum disulfide
Authors: Gowdini S , Kanjouri F 
Published: March 2022

Abstract
Strong spin–orbit coupling and lack of inversion symmetry in monolayer transition metal dechalcogenides has made these materials as a promising candidate for both spintronic and valleytronic applications. We investigate the effect of adjustable parameters on quantum transmission of electrons through a magnetic barrier on MoS2 monolayer and introduce selection rules for generation of perfectly polarized spin-valley beams in various directions. These selection rules provide an efficient tool for versatile electrical manipulation of spin-valley beams in two-dimensional structures.
Analytic extensions of Starobinsky model of inflation
Authors: Ivanov Vsevolod R. , Ketov Sergei V. , Pozdeeva Ekaterina O. , Vernov Sergey Yu. 
Published: March 2022

Abstract
We study several extensions of the Starobinsky model of inflation, which obey all observational constraints on the inflationary parameters, by demanding that both the inflaton scalar potential in the Einstein frame and the F(R) gravity function in the Jordan frame have the explicit dependence upon fields and parameters in terms of elementary functions. Our models are continuously connected to the original Starobinsky model via changing the parameters. We modify the Starobinsky (R + R
2) model by adding an R
3-term, an R
4-term, and an R
3/2-term, respectively, and calculate the scalar potentials, the inflationary observables and the allowed limits on the deformation parameters by using the latest observational bounds. We find that the tensor-to-scalar ratio in the Starobinsky model modified by the R
3/2-term significantly increases with raising the parameter in front of that term. On the other side, we deform the scalar potential of the Starobinsky model in the Einstein frame in powers of y = exp(-√(2/3)ϕ/M
Pl), where ϕ is the canonical inflaton (scalaron) field, calculate the corresponding F(R) gravity functions in the two new cases, and find the restrictions on the deformation parameters in the lowest orders with respect to the variable y that is physically small during slow-roll inflation.
Role of the edge stochastic layer in density pump-out by resonant magnetic perturbations
Authors: Ashourvan Arash , Nazikian R. , Hu Q.M. 
Published: March 2022

Abstract
The role of the edge stochastic layer on particle transport is addressed in DIII-D plasmas with applied resonant magnetic perturbations (RMPs) causing density pump-out (a term used to denote the density reduction at the top of the pedestal due to the applied RMPs). Using an analytical model that adds the stochastic parallel transport of electrons (Harvey et al 1981 Phys. Rev. Lett.
47 102) to the fluid equations, the ambipolar radial electric field and particle flux are calculated simultaneously. In this model the nonambipolar electron particle flux, driven by the stochastic magnetic field, is predominantly balanced by the nonambipolar perpendicular ion flux, driven by toroidal viscosity, across a narrow stochastic layer of order two percent of the plasma radius (0.98 < ψ

n
< 1). The model reproduces the level of density pump-out and its dependence on RMP amplitude near the separatrix for three plasma discharges for which the pedestal foot is at medium to high collisionality

(

2
⩽

ν

sep

*

⩽
30

)

. The experimentally observed and numerically tested inverse density dependence of density pump-out (Hu et al 2020 Nucl. Fusion
60 076001) is accurately captured by the model: an increase in collisionality with density in the pedestal foot results in a decrease in stochastic diffusivity, and hence a decrease in the level of pump-out.
Modification of coal fly ash waste by using core-shell method for Cu2+ adsorbent material
Authors: Saputro S , Mahardiani L , Masykuri M , Yamtinah S , Cinthia  
Published: March 2022

Abstract
This research aimed to study: (1) the utilization of fly ash waste as an adsorbent for the heavy metal ion of Cu2+ (2) the effect of variations in adsorbent contact time on the adsorption capacity of Cu2+, (3) the effect of mass variation and activator on the adsorption capacity of Cu2+ ion. This study was divided into some stages, i.e. fly ash preparation, activation, Fe3O4 preparation, Fe3O4@fly ash nanocomposite synthesis, adsorption process, and characterization analysis. Determination of the functional groups of the adsorbent using a Fourier-Transform Infra-Red (FTIR) spectroscopy. The analysis of the adsorbent’s crystal structure was done using X-ray diffraction. In contrast, the effectiveness of fly ash waste as an adsorbent and the effect of contact time on capacity was done using atomic absorption spectroscopy. Based on the results, it was concluded that: (1) fly ash modified using the core-shell method could be used as an adsorbent for Cu2+ ions. (2) there was no change in the structure of the adsorbent before and after the activation. (3) the optimum contact time of the metal ion Cu2+ adsorption by the adsorbent was 120 minutes using the sample D1 (non-PEG 4000 + 3 g Fly Ash NaOH + 3 g Fe3O4) with 71% adsorption power and adsorption capacity was 0.28368 mg/g.
Impacts of low sintering temperature on microstructure, atomic bonds, and dielectric constant of barium titanate (BaTiO3) prepared by co-precipitation technique
Authors: Suherman B , Nurosyid F , Khairuddin  , Sandi D K , Irian Y 
Published: March 2022

Abstract
Barium Titanate (BaTiO3 or BT) is one of which the most attractive ferroelectric materials that have been widely studied. The fabrication process affects the properties of ferroelectric materials where increasing the sintering temperature is one of the ways to improve their performance. In this study, BT has been synthesized using the co-precipitation technique. The samples were sintered for 4 h with varying sintering temperatures of 700°C and 800°C. The purpose of this study was to investigate the effects of variation of sintering temperatures on the microstructure, dielectric constant, and chemical bonds of BT. The micro structure observed by the X-Ray Diffraction (XRD) showed that the crystal size of the sample at 800°C was larger than the sample at 700°C. Furthermore, the Fourier Transform Infrared (FTIR) analysis revealed that increasing the sintering temperature decreased the intensity of the impurities’ peaks of C-H and C=O atomic bonds in the BT structure. The impurity that appear is the carbonate phase which does not decompose during the formation of BT. Moreover, based on the Resistance Capacitance Inductance (RCL Meter) examination, increasing the sintering temperatures could enhance the dielectric constant of the BT samples from 65 to 162. Thus, it can be inferred, that the increase in the sintering temperature could improve the crystal structure and decrease the impurities phases of the BT materials so that further could enhance the dielectric constant.
Properties of TiO2/PDMS-Ag Composites as Antibacterial Self Cleaning
Authors: Ardhi B P , Alfin M M , Pramono E , Wahyuningsih S 
Published: March 2022

Abstract
TiO2 and TiO2-PDMS/Ag (PDMS = polydimethylsiloxane) composites have been prepared. The synthesis was carried out by preparing TiO2 using ball milling technique for 6, 8 and 10 hours, with the composition of TiO2: ball milling = 1:15; 1:20; and 1:25 (g/g). Furthermore, the TiO2-PDMS/Ag composite was synthesized through the solvent dispersion method with the aid of ultrasonication. The preparation of TiO2-PDMS/Ag composites was carried out with several compositions of TiO2, PDMS and Ag, as well as milling times, aiming to determine the effect of compositions and time of ball milling process on decreasing of TiO2 particle size. The addition of Ag to the TiO2-PDMS composites was carried out to investigate the effect of Ag on the antibacterial activity. TiO2-PDMS/Ag composite coating on glass was done by spray coating method. While the antibacterial activity was measured by determining the zone of inhibition by disc diffusion method against Staphylococcus aurous and Escherichia coli. The results exhibited that the ball milling treatment and milling time affected the change in the crystal size of TiO2. The highest composition of TiO2: ball milling at 1:25 for 10 hours was able to reduce the crystal size of TiO2 from 65.81 nm to 46.17 nm. The other hand, the observation of the physical properties of the contact angle of glass coated TiO2-PDMS/Ag composites before irradiation obtained 107° and after irradiation with visible light the contact angle decreased to 56°, which shows that the TiO2-PDMS/Ag composites exhibit photocatalytic activity in the presence of TiO2/Ag. Furthermore, the observation of antibacterial activity on the TiO2-PDMS/Ag as a self-cleaning photocatalytic materials resulted that the largest inhibition zone reached 11.37 mm, so that the TiO2/PDMS-Ag composites had great potential as an active antibacterial self-cleaning.
Improvement of the characteristics of silica particles extracted from rice husks using chemical-physical method
Authors: Wahyuningsih K , Yuliani S , Wahyudiono  , Hoerudin  
Published: March 2022

Abstract
Silica (SiO2) can be extracted from rice husks and has biodegradable properties. However, the rice husk extraction process using the sol-gel technique generates low-purity silica, making them non-compliant as a filler material on the rubber finished goods industry. This study aimed to improve the characteristics of silica particles extracted from rice husks using the leaching-pyrolysis technique compared to the sol-gel technique. Silica was extracted from rice husks using 1.0 N sodium hydroxide and hydrochloric acid solvent (with concentrations of 0.4 N, 1.0 N, and 2.0 N). The pyrolysis was then conducted at 600 °C for 6 hours. The results showed that the leaching-pyrolysis technique was more effective than the sol-gel technique in improving silica particle characteristics. X-ray fluorescence analysis showed that the SiO2 content increased from 91.00 % to 96.82 %. Likewise, the percentage of amorphous by X-ray diffraction analysis and specific surface area by the Brunauer Emmett-Teller method also increased, namely from 48.20 % to 53.97 % and from 96.486 m2/g to 240.427 m2/g, respectively. Therefore, silica from rice husks with these characteristics is applicable as a filler material that is environmentally friendly and renewable.
Synthesis, characterization and antibacterial test of Tetrakis(3-Aminophenol) Copper(II)Nitrate Hexahydrate
Authors: Sarifudin M , Hayati N N , Rahardjo S B 
Published: March 2022

Abstract
The purposes of this research were to synthesize and characterize of copper(II) with 3-aminophenol and determine its antibacterial activity. The complex was synthesized by refluxing a mixture of metal solution and ligand sulition in 1:4 mole ratio for one hour in methanol. The percentage of copper was 8.88% determined by Atomic Absorption Spectroscopy (AAS) therefore the predicted formula was Cu(3-aminophenol)4(NO3)2(H2O)6. Molar conductivity of the complex was measured by conductivity meter corresponding to 1:2 electrolyte. The thermal analysis of the formed complex indicated that the complex containing six water molecules as hydrates. The magnetic susceptibility measurement showed that the complexes was paramagnetic with μeff= 1.88 BM. Electronic spectra of the formed complex appeared at one transition peak on λ= 446 nm. The infrared spectra of the complex showed a shift of (N-H)
band
and (N-H)
stretch
group absorption in
3230 and 1497 cm−1 compared to 3-aminophenol at 3362 and 1594 cm−1. This fact indicated that the (N-H) functional groups were coordinated to the central metal ion. The plausible formula of the complex was [Cu(3-aminophenol)4](NO3)2.6H2O with a square planar structure. The complex showed no antibacterial activity againts Gram-positive bacteria (S. aureus, S. epidermidis) and Gramnegative bacteria (E. coli, P. aeruginosa).
Safety analysis of paraffin wax based biological shielding for cancer therapy with BNCT method on piercing beamport of Kartini nuclear reactor Yogyakarta
Authors: Sardjono Y , Walhikmah R , Widiatmono R , Mahmudah R S N , Wijaya G S , Triatmoko I M , Widarto  
Published: March 2022

Abstract
Cancer is one of the deadly diseases for humans. According to the World Health Organization (WHO) in 2018, there were 9.6 million deaths caused by cancer. Boron Neutron Capture Therapy (BNCT) is a cancer therapy method that is cell targeting by utilizing the reaction of the Boron-10 core with thermal neutrons. The use of BNCT facilities needs attention regarding the safety of radiation workers. An attempt that could be made is to mount a material on a radiation shield that efficiently blocks neutron and gamma radiation. To optimize the calculation used PHITS computer code. The result can be concluded that the characteristics of paraffin wax were effective in blocking neutron radiation but not effective in absorbing gamma radiation. C36H74
is a paraffin wax with the highest density, but produces the lowest dose rate value. The optimum geometry and radiation shielding materials to with stand neutron and gamma radiation are paraffin wax, aluminum and lead with a thickness of 6 cm on top, bottom and front 5 cm, and left and right 3 and a dose rate value at the top of 2.00 µSv/hour, bottom 6.41 µSv/hour, front 5.55 µSv/hour, left and right 3 µSv/hour respectively.
Thermal properties of hybrid membrane-based PVDF modified with cellulose and silylated cellulose
Authors: Zakaria M A , Fridiasari K F , Ni’mah A F , Macorowalie A , Santoso Y , Saputra O A , Bagaskara M , Mustofa R E , Pramono E , Purnawan C 
Published: March 2022

Abstract
Cellulose extracted from Oil Palm Empty Fruit Bunches has been successfully modified by amino-based and oxirane-based silylating compounds. The modified and unmodified cellulose was incorporated into polyvinylidene fluoride (PVDF) membranes through the phase-inversion. The resulted membranes were further analyzed using Differential Scanning Calorimetry (DSC) to distinguish the thermal properties, including melting temperature and crystallinity of the membranes. Moreover, the water uptake properties of the membranes were discussed in this study. The melting temperature of each membrane is not significantly different. However, PVDF/CellGPTMS has better thermal properties compared to others. The presence of cellulose and its modified product within PVDF membranes improved the crystallinity of the membranes.
A comparative study of kinetics of methylene blue dye using adsorbent andisol and humic acid from lighnite by KOH-hydrothermal method
Authors: Prandini M N , Pranoto  , Marliyana S D 
Published: March 2022

Abstract
A comparative study of adsorption kinetics model of methylene blue (MB) dye using andisol and humic acid (HA) adsorbents from the isolation of lignite with KOH-Hydrothermal has been carried out. The adsorption process was measured by using a UV-Vis Spectrophotometer to determine concentration of the adsorbed MB. The adsorption kinetics was determined using the first-order Langmuir-Hinshelwood kinetic model, the first-order kinetic model of Lagergren (1898), and the pseudo-second-order kinetic model of McKay and Ho. The adsorption kinetic model of MB on andisol and HA followed second-order kinetic model of McKay and Ho, with the reaction rate constant for MB adsorption on andisol higher than the rate constant for MB adsorption on HA. The reaction rate constant for MB adsorption on andisol was 0.0532 g mg−1 minute−1 and the adsorption capacity was 18.9753 mg/gr, while the reaction rate constant for MB adsorption on andisol was 0.0241 g mg−1 minute−1 and the adsorption capacity was 19.7628 mg/gr.
New route for synthesis and characterization sulfonated chitosan using acetyl sulfate as a sulfonating agent
Authors: Bagaskara M , Azizah A , Ni’mah A F , Hapsari P Z , Saputra O A , Dewi C , Pramono E 
Published: March 2022

Abstract
The purpose of this study was to synthesis and characterized sulfonated chitosan using acetyl sulfate. Sulfonated chitosan has been successfully synthesized using an alternative sulfonating agent using acetyl sulfate. Sulfonated chitosan was prepared by varying the volume of acetyl sulfate against chitosan for 1 hour at 40 oC and then terminated and filtered to obtain sulfonated chitosan. The sulfonated chitosan was characterized using Fourier Transform Infrared (FTIR), thermal analysis, and cation exchange capacity (CEC). FTIR data showed that all variation of sulfonated chitosan have sulfonate groups attached to both amine and hydroxyl group from chitosan. Thermal analysis showed lower thermal stability of sulfonated chitosan than chitosan. CEC data shows that the highest value obtained 14,5 mmol/g for addition 25 mmol acetyl sulfate. Sulfonated chitosan shows a high value of CEC and it has a promising material for polymer electrolyte membrane in Fuel Cells technology.