bluuebunny/crossref_metadata_2025_split huggingface dataset:
Crucial role of interfacial interaction in 2D polar SiGe/GeC heterostructures
Authors: Alharbi Safia Abdullah R , Yu Ming 
Published: February 2024

Abstract
The planar charge transfer is a distinctive characteristic of the two-dimensional (2D) polar materials. When such 2D polar materials are involved in vertical heterostructures (VHs), in addition to the van der Waals (vdW) interlayer interaction, the interfacial interaction triggered by the in-plane charge transfer will play a crucial role. To deeply understand such mechanism, we conducted a comprehensive theoretical study focusing on the structural stability and electronic properties of 2D polar VHs built by commensurate SiGe/GeC bilayers with four species ordering patterns (classified as a C-group with patterns I and II and a Ge-group with patterns III and IV, respectively). It was found that the commensurate SiGe/GeC VHs are mainly stabilized by interfacial interactions (including the electrostatic interlayer bonding, the vdW force, as well as the sp
2/sp
3 orbital hybridization), with the Ge-group being the most energetically favorable than the C-group. A net charge redistribution occurs between adjacent layers, which is significant (∼0.23–0.25 e cell−1) in patterns II and IV, but slightly small (∼0.05–0.09 e cell−1) in patterns I and III, respectively, forming spontaneous p–n heterojunctions. Such interlayer charge transfer could also lead to a polarization in the interfacial region, with the electron depletion (accumulation) close to the GeC layer and the electron accumulation (depletion) close to the SiGe layer in the C-group (the Ge-group). This type of interface dipoles could induce a built-in electric field and help to promote photogenerated electrons (holes) migration. Furthermore, a semi-metal nature with a tiny direct band gap at the SiGe layer and a semiconducting nature at the GeC layer indicate that the commensurate SiG/GeC VHs possess a type-I band alignment of heterojunction and have a wide spectrum of light absorption capabilities, indicating its promising applications for enhancing light-matter interaction and interfacial engineering.
Identification of paramagnetic centers in irradiated Sn-doped silicon dioxide by first-principles
Authors: Giacomazzi L , Martin-Samos L , Richard N , Ceresoli D , Alessi A 
Published: February 2024

Abstract
We present a first-principles investigation of Sn paramagnetic centers in Sn-doped vitreous silica based on calculations of the electron paramagnetic resonance (EPR) parameters. The present investigation provides evidence of an extended analogy between the family of Ge paramagnetic centers in Ge-doped silica and the family of Sn paramagnetic centers in Sn-doped silica for SnO2 concentrations below phase separation. We infer, also keeping into account the larger spin–orbit coupling of Sn atoms with respect to Ge atoms, that a peculiar and highly distorted three-fold coordinated Sn center (i.e. the Sn forward-oriented configuration) should give rise to an orthorhombic EPR signal of which we suggest a fingerprint in the EPR spectra recorded by Chiodini et al (2001 Phys. Rev. B 64 073102). Given its structural analogy with the

E
α

′

and Ge(2) centers, we here name it as the ‘Sn(2) center’. Moreover, we show that the single trapped electron at a SnO4 tetrahedron constitutes a paramagnetic center responsible for the orthorhombic EPR signal reported in Chiodini et al (1998 Phys. Rev. B 58 9615), confuting the early assignment to a distorted variant of the Sn-Eʹ center. We hence relabel the latter orthorhombic EPR signal as the ‘Sn(1) center’ due to its analogy to the Ge(1) center in Ge-doped silica.
Error analysis of calibration for horizontal tensor rotating accelerometer gravity gradiometer
Authors: Yu Xiaobing , Jiang Tao , Yu Li , Pi Jianyuan , Guo Xukai , Liang Yu , Ke Bohai , Hu Chenyuan , Fan Ji , Tu Liangcheng , Zhou Zebing , Liu Huafeng 
Published: February 2024

Abstract
The rotating accelerometer gravity gradiometer (RAGG) is regarded as a significant tool in geophysics applications such as resource exploration and gravity-assisted navigation research. Here we develop a prototype of the horizontal tensor RAGG and build a dedicated calibration platform for evaluating its performance. The error of calibration is theoretically computed and experimentally verified. The errors considered include higher-order terms of the gravity gradient error, positioning error, demodulation phase error, as well as the dimensions and density error of the gravitational mass. It has witnessed a high-accuracy gravity gradient calibration platform based on a motorized translation stage, with error values of 0.49 E (1 E = 10−9 s2) in channel

Γ

sin

and 0.24 E in channel

Γ

cos

. At an averaging time of 32 s, the RAGG demonstrates optimal stability, featuring a minimum Allan deviation value of 6.6 E in channel

Γ

sin

and 5.5 E in channel

Γ

cos

. And the RAGG has achieved a measurement noise floor of about 40 E/√Hz @ 0.001–0.1 Hz in both channels. For simulating engineering applications, the experimental results demonstrate a standard deviation error of only 3.2 E by employing a gravity gradient excitation step signal of 10 E. It shows that this RAGG has the potential for a wide range of applications.
Mathematical analysis of the solar assisted thermoelectric generator
Authors: Mishra Princy , Singh O P , Katiyar A K 
Published: February 2024

Abstract
The direct conversion of solar energy into electrical energy is primarily dependent on the photovoltaic systems. However, in the last few decades, researchers have shown interest to work on the thermoelectric modules for direct conversion of solar thermal energy into electrical energy based on the Seebeck effect. This research paper provides a comprehensive analysis of various Solar Thermoelectric Generator (STEG) designs, focusing on their conversion efficiencies. Despite the comparatively lower efficiency of STEG in comparison to photovoltaic (PV) cells, owing to limitations in the figure of merit value and temperature differences between hot and cold sides of the thermoelectric modules, this study proposes strategies for enhancement. Approaches include the development of materials with higher figure of merit values, design optimization, solar tracking, heat storage systems, and efficient heat sink designs. Also, Mathematical analysis of the power and efficiency calculation of a STEG has been presented on the basis of some fundamental and derived mathematical equations. The overall efficiency of STEG, a product of Opto-thermal Efficiency and thermoelectric module efficiency, is explored, identifying an optimal hot side temperature for maximum efficiency. Module mismatch analyses for series and parallel connections are also derived, underscoring conditions for mitigating power loss. These findings serve as guidelines for designing more feasible and efficient STEG systems, with considerations for economic viability, sustainability and greenhouse gas reduction throughout the life cycle.
Investigating inorganic perovskite as absorber materials in perovskite solar cells: machine learning analysis and optimization
Authors: Shrivastav Nikhil , Madan Jaya , Hossain M Khalid , Mohammed Mustafa K A , Samajdar D P , Bhattarai Sagar , Pandey Rahul 
Published: February 2024

Abstract
This work investigates the potential of inorganic perovskites AgBiSCl2 and Al2Cu2Bi2S3Cl8 as absorber layers in perovskite solar cells, followed by the application of supervised machine learning models. Extensive exploration and optimization of device architectures FTO/SnO2/AgBiSCl2/Spiro-OMeTAD/Au and FTO/SnO2/Al2Cu2Bi2S3Cl8/Spiro-OMeTAD/Au are conducted, involving variations in absorber layer thickness (d), bulk defect density (Nt), and carrier mobility (μ
n,p). The AgBiSCl2-based device achieves an optimized conversion efficiency of 10.06%, while the Al2Cu2Bi2S3Cl8-based device achieves 12.27%. To train different machine learning models, 1600 datasets are collected for each device, and Neural Networks (NN), Random Forests (RF), and XGBoost (XGB) models are employed. The performance parameters, evaluated using mean squared error (MSE) and high R-squared (R2) values, demonstrate that XGB performs the best, achieving an MSE of 0.210 and R2 of 97.1% for AgBiSCl2 and 0.671 and 90.6% for Al2Cu2Bi2S3Cl8. Additionally, the impact of each variable (d, Nt, and μ
n,p) on the output is analyzed using Shapley Additive Explanations (SHAP) plots for each model. The results presented in this study pave the way for the advancement of perovskite material-based solar cells without relying on complex optoelectronic semiconducting equations and device simulators.
Detection of evoked resonant neural activity in Parkinson’s disease
Authors: Lee Wee-Lih , Ward Nicole , Petoe Matthew , Moorhead Ashton , Lawson Kiaran , Xu San San , Bulluss Kristian , Thevathasan Wesley , McDermott Hugh , Perera Thushara 
Published: February 2024

Abstract

Objective. This study investigated a machine-learning approach to detect the presence of evoked resonant neural activity (ERNA) recorded during deep brain stimulation (DBS) of the subthalamic nucleus (STN) in people with Parkinson’s disease. Approach. Seven binary classifiers were trained to distinguish ERNA from the background neural activity using eight different time-domain signal features. Main results. Nested cross-validation revealed a strong classification performance of 99.1% accuracy, with 99.6% specificity and 98.7% sensitivity to detect ERNA. Using a semi-simulated ERNA dataset, the results show that a signal-to-noise ratio of 15 dB is required to maintain a 90% classifier sensitivity. ERNA detection is feasible with an appropriate combination of signal processing, feature extraction and classifier. Future work should consider reducing the computational complexity for use in real-time applications. Significance. The presence of ERNA can be used to indicate the location of a DBS electrode array during implantation surgery. The confidence score of the detector could be useful for assisting clinicians to adjust the position of the DBS electrode array inside/outside the STN.
Deuterium uptake, desorption and sputtering from W(110) surface covered with oxygen
Authors: Hodille E.A. , Pavec B. , Denis J. , Dunand A. , Ferro Y. , Minissale M. , Angot T. , Grisolia C. , Bisson R. 
Published: February 2024

Abstract
Rate equation modelling is performed to simulate

D
2

and

D
2

+

D

2
+

exposure of the

W

(
110
)

surface with varying coverage of oxygen atoms (O) from the clean surface up to 0.75 monolayer of O. Density Functional Theory (DFT) calculated energetics are used as inputs for the surface processes and desorption energies are optimized to best reproduce the Thermal Desorption Spectrometry (TDS) experiments obtained for

D
2

exposure. For the clean surface, the optimized desorption energies (1.10 eV–1.40 eV) are below the DFT ones (1.30 eV–1.50 eV). For the O covered surface, the main desorption peak is reproduced with desorption energies of 1.10 eV and 1.00 eV for 0.50 and 0.75 monolayer of O respectively. This is slightly higher than the DFT predicted desorption energies. In order to simulate satisfactorily the total retention obtained experimentally for

D
2

+

D

2
+

exposure, a sputtering process needs to be added to the model, describing the sputtering of adsorbed species (D atoms) by the incident D ions. The impact of the sputtering process on the shape of the TDS spectra, on the total retention and on the recycling of D from the wall is discussed. In order to better characterize the sputtering process, especially its products and yields, atomistic calculations such as molecular dynamics are suggested as a next step for this study.
CTAB-assisted Hydrothermal Method for Tin Oxide Preparation as an Active Materials for Ethylene Gas Detection
Authors: Prayoga Adyatma , Iqbal Muhammad , Saputro Adhitya Gandaryus 
Published: February 2024

Abstract
Detection of ethylene gas, a chemical compound that affects the ripening rate of several kinds of fruits, can be one of the solutions to prevent the overripeness of fruits. Metal oxide semiconductors as an active material for gas sensors have several advantages, such as high sensitivity and low cost. Tin oxide is one of the metal oxide semiconductors that is often used to detect several kinds of gases. In this research, tin oxide will be used as an active material for detecting ethylene gas. Tin oxide was successfully synthesized by the CTAB-assisted hydrothermal method and characterized using XRD and SEM. The material is a tetragonal-phase tin oxide based on its diffraction peaks. Meanwhile, SEM imaging shows that tin oxide has morphologies of irregular nanoparticles. The performance test was done by exposing the materials to 20 ppm of ethylene gas in a temperature range of 150°C–350°C. From the test result, it was shown that at higher working temperatures, the sensitivity will be higher. At a working temperature of 350ºC, the sensitivity of ethylene detection is 4.9.
Synthesis and Characterization of Copper-Nickel Based Metal Organic Framework by Co-Precipitation Methode: Properties and Possible Application
Authors: Lidiawati N A , Nuruddin A , Nugraha  
Published: February 2024

Abstract
CuNi-BTC was synthesized using the co-precipitation method with precursors copper (II) nitrate trihydrate, nickel nitrate trihydrate, benzene-1,3,5-tricarboxylic acid, and the addition of 10 wt% triethanolamine (TEOA) as a modulator. The synthesis was conducted at room temperature and dried at 60°C for 24 hours. X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), Fourier-Transform Infrared (FTIR), Brunnauer-Emmet-Teller (BET), and electrochemical measurement are techniques employed for the characterization of the material. The diffraction patterns of CuNi-BTC show similar diffraction peaks of the HKUST-1 at 2θ of 6.7°, 9.5°, 11.5°, and 13.4°, respectively. The morphology of CuNi-BTC has an octahedral shape with a pore on its surface. The BET analyses show that the surface area of CuNi-BTC is 534 m2/g with pore and diameter volumes of 0.044 cm3/g and 1.60 nm, respectively. The nitrogen adsorption-desorption isotherm graph shows the type IV characteristic of a mesoporous material. The electrochemical performance of the material was observed by cyclic voltammetry (CV) methods. The CuNi-BTC has current reduction and oxidation values of 4.46 and 3.38 μA, respectively, and has good stability at various scan rates between 10 – 100 mvs-1.
Synthesis and Characterization of ZIF 67 Manganese Bimetal for Electrochemical Sensor Application
Authors: Muslihati Atqiya , Gumilar Gilang , Nugraha Nugraha , Wasisto Hutomo Suryo , Yuliarto Brian 
Published: February 2024

Abstract
The field of sensor applications has witnessed substantial growth in diverse domains, including agriculture, food, oil, environment, and medicine. Among the varied methodologies employed, electrochemical methods stand out. The judicious selection of appropriate materials in this context significantly augments sensor efficiency. Zeolitic Imidazolate Framework 67 (ZIF 67), a highly porous material with an expansive surface area, offers facile synthesis, yet is impeded by limited conductivity. The introduction of additional metal derivatives has been reported to enhance its conductivity, with manganese, a transition metal, identified for its potential conductivity improvement and its influence on particle size. Thus, this paper aims to comprehensively explore the properties of manganese-modified ZIF 67, spanning structural, morphological, and electrochemical properties. Research findings indicate that manganese doping enhances crystallinity, as evident from X-ray diffraction analysis, while also impacting particle size (from

x
¯

514.4 nm to 944 nm), as assessed through SEM measurements. Furthermore, electrochemical performance reveals heightened peak current during redox processes reaching ±64 µA, indicative of improved conductivity from the ZIF 67 (±13 µA) and the bare (±43 µA). In light of these outcomes, this material emerges as a promising candidate for electrochemical sensor development.
A Novel Palm Sugar-Mediated Hydrothermal Synthesis of Spherical Tin Oxide for Enhanced SO2 Gas Detection
Authors: Nursyahid Annas , Septiani Ni Luh Wulan , Hermawan Angga 
Published: February 2024

Abstract
Sulfur dioxide (SO2), a hazardous gas resulting from combustion and natural reactions, poses environmental and health risks. This study presents a novel approach to synthesize tin oxide (SnO2) using palm sugar-mediated hydrothermal methods for enhanced SO2 gas sensing. The simplicity and cost-effectiveness of the method are highlighted, addressing challenges posed by complex and resource-intensive conventional methods. Spherical SnO2 particles were successfully synthesized and characterized using SEM and XRD techniques. From the SEM image, it was known that SnO2 has spherical morphologies and is expected to agglomerate after being calcined. XRD analysis shows that SnO2 has a rutile tetragonal phase structure. The synthesized SnO2 demonstrated favorable gas sensing properties when exposed to SO2, exhibiting elevated response at increased temperatures and a linear relationship between response and gas concentration. The results indicate the potential of this method for effective and efficient SO2 detection.
Photoanode Modification Based on Lignin Extracted from Rice Husk for Dye-Sensitized Solar Cells
Authors: Rabelsa G , Firdaus Y , Shobih  , Hidayat J , Rijal M S , Sova R R , Yuliarto B 
Published: February 2024

Abstract
The photoanode optimization of dye-sensitized solar cells (DSSCs) has been developed to create renewable devices based on green chemistry. TiO2 plays a crucial role in light absorption, charge separation, and electron transport within the photoanode of DSSCs. Modifying mesoporous TiO2 photoanode using lignin-template has been considered a viable option for photocatalyst synthesis. Lignin derived from rice husk is a potential material due to its abundant sources in many countries. Therefore, in this work, rice husk lignin was employed for non-toxic and low-cost material performance improvement of TiO2. Experimental results showed that the best efficiency and current density were identified as the effect of adding a 5% concentration of lignin on the TiO2 composite, namely 4.81% PCE.
Preliminary Study on the Modification of Quantum Dots/Geothermal Silica Nanocomposites with Breast Cancer Antibody (MUC-1)
Authors: Airyn Anastasya Erica , Apriyani Firda , Petrus Himawan T B M , Angelina Marissa , Kristiani Anis , Pambudi Fajar Inggit , Aisyiyah Jenie S N 
Published: February 2024

Abstract
In this research, a silica-based nanosensor is synthesized using the sol-gel method and subsequently modified with quantum dots and MUC-1 antibody to detect MCF7, a cell line commonly found in breast cancer. Synthesis of silica nanoparticles was conducted through the sol-gel process using NaOH and HCl. The characterization using surface area analysis shows that geothermal silica based nanoparticles exhibit specific size of 31.2 nm with specific surface area of 192.37 m2/g. The nanoparticles were then modified using Cd-based Carboxyl Quantum dots to give fluorescence properties, obtaining SiNP@QD. Characterization was performed using UV-Vis and fluorescence spectroscopy to understand the photostability of nanoparticles in PBS buffer in various concentrations. The fluorescent nanoparticles were then immobilized with MUC-1 antibody and the successful conjugation was confirmed with FTIR showing peaks at 1548 and 1637 cm−1 corresponding to the amide I and amide II stretching vibration, respectively. The MUC-1 antibody modified silica nanoparticles is potential to be applied as nanosensor for the optical detection of MCF-7 cell line as one of breast cancer biomarkers.
Synthesis and Characterization of Nickel Cobalt Glycerate Derived Nickel Cobalt Based Metal-Organic Framework
Authors: Lidiawati N A , Iqbal M , Irzaman  , Nugroho W S , Rusydi F 
Published: February 2024

Abstract
This study produced Ni/CO-MOF material from Ni/Co-Glycerate with Ni:Co composition ratios of 1:2, 1:5, and 1:10. The Ni/Co-Glycerate template was synthesized using the solvothermal method at 180°C for 16 hours and dried at 60°C for 6 hours. MOFs were synthesized by dissolving Ni/Co-Glycerate as the metal ion source and 2-mIM as the ligand in distilled water at room temperature. The precipitate was washed with ethanol and dried for 16 hours at 80°C. X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), and Fourier-Transform Infrared (FT-IR) were used to examine material properties. The XRD results show that increasing the concentration of nickel metal can increase crystallinity, according to increasing intensity peaks at 2θ of 7.19°, 10.30°, 12.39°, and 17.88°. The morphology of Cu/Ni-MOF is hybrid; the hydroxide phase has a flower-like morphology, and MOFs have a circular shape. FT-IR spectra show the same spectrum absorption peaks band. The similarity of the peaks indicates that the functional groups in the Ni/Co-MOF material are the same at different metal concentrations.
Iodine Gas Detection System Using Color Sensor
Authors: Salam R M , Nurhaini F F , Anggakusuma R , Shidiq A , Putra B A N 
Published: February 2024

Abstract
Iodine can exist in the form of radioactive and non-radioactive states. Radioactive Iodine-131 (I-131) has been utilized in nuclear facilities. Due to its ability to be absorbed by the thyroid gland, I-131 is used for therapy in thyroid cancer cases. Contrary to the benefit, Iodine is a volatile material that becomes a health problem if humans inhale more than a certain dose under a certain period. Thus, to prevent overexposure to Iodine, all Iodine-related facilities must equip their facilities with Iodine detection systems. The most common radioactive detection system uses an expensive Na(Tl), and HPGe detector. So, this study will build a low-cost iodine detection system by means of a low-cost color-based sensor utilizing the color property of the Iodine gasses. This finding showed that the color sensor will detect the Iodine gas leaks in the air in a range of 0 - 100 ppm, resulting in a pink-dark purple color. This finding showed that the sensor could detect low concentrations of Iodine gas in particular areas very well. Since the good resolution of this detection system, it will be promising to be applied in a real-time iodine gasses detection system.
Ultrawide-band Wearable Antenna with Uniplanar Compact Electromagnetic Band Gap
Authors: Ibrahim Muhammad Kinan , Nur Levy Olivia , Ryanu Harfan Hian 
Published: February 2024

Abstract
Ultrawide-band technology, commonly known as UWB, sends data over a wide frequency range for many applications. WBAN applications use wearable antennas because they have flexible materials and are suitable for telemedicine technology and have many advantages such as small size, lightweight, able to work at a wide enough frequency, easy fabrications, and affordable costs. In this research, the hexagonal patch ultrawide-band monopole planar wearable antenna was designed using Cordura Delinova 2000 textile material for the substrate and copper tape for the groundplane and patch. The Uniplanar Compact Electromagnetic Band Gap (UC-EBG) as a metamaterial was added to the design of the monopole planar antenna in this final project which aims to improve antenna parameters, increase efficiency, and reduce the effects of radiation on the body. From the measurement results on the antenna with the addition of the UC-EBG structure at the bottom of the patch, it produces a 6% fractional bandwidth increase and able to work in the frequency range of 3-10 GHz off-body conditions and 2-11 GHz on-body conditions. In the SAR test at 45 mm, it was found that the value decreased from previously 1.535 W/Kg to 1.31 W/Kg at a frequency of 3.5 GHz and previously from 1.421 to 1.267 W/Kg at a frequency of 5 GHz on a wrist phantom object which is a good value for SAR. The resulting increase in antenna gain after the addition of the UC-EBG structure. The radiation pattern on the antenna is bidirectional.