Journal of Computational Electronics最新文献_第9页

A review of MEMS microphone capabilities 回顾MEMS麦克风的功能

IF 2.5 4区工程技术

Journal of Computational Electronics Pub Date : 2025-12-16 DOI: 10.1007/s10825-025-02468-2

Rama Kant Sharma, Mahanth Prasad

{"title":"A review of MEMS microphone capabilities","authors":"Rama Kant Sharma, Mahanth Prasad","doi":"10.1007/s10825-025-02468-2","DOIUrl":"10.1007/s10825-025-02468-2","url":null,"abstract":"<div><p>Acoustic sensing applications are being actively explored across a wide range of fields, including consumer electronics, biomedical devices, industrial applications, space technology, and military-grade equipment. In the past, the electret condenser microphone (ECM) was the primary technology used for sound detection. However, advancements in micro-electro-mechanical systems (MEMS) acoustic sensors have transformed the landscape. With the stabilization of MEMS manufacturing processes, these sensors are now increasingly integrated into mobile phones, wearable devices, Bluetooth headsets, hearing aids, digital cameras, automotive voice control systems, and environmental monitoring equipment. Developing silicon MEMS acoustic sensors may seem straightforward, but it involves addressing a range of complex and inherent challenges. This paper provides a comprehensive overview of the materials and technologies involved in the development of MEMS acoustic sensors. We discuss various sensing mechanisms, including piezoresistive, capacitive, piezoelectric, triboelectric, optical, and Spin-MEMS technologies. Additionally, we outline the design techniques used in sensor development. Furthermore, we explore AI-based methods to improve sensor sensitivity and examine the operational parameters of commercial MEMS microphones.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"25 1","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145778798","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Electric field-driven magnetoelectric coupling in 2D MnI2: toward tunable multiferroic and magnetic responses 二维MnI2中电场驱动的磁电耦合：朝向可调谐的多铁性和磁性响应

IF 2.5 4区工程技术

Journal of Computational Electronics Pub Date : 2025-12-13 DOI: 10.1007/s10825-025-02472-6

Hanane Id Hamou, Halima Zaari, O. Oubram, Abdelilah Benyoussef, Abd Allah El Kenz

{"title":"Electric field-driven magnetoelectric coupling in 2D MnI2: toward tunable multiferroic and magnetic responses","authors":"Hanane Id Hamou, Halima Zaari, O. Oubram, Abdelilah Benyoussef, Abd Allah El Kenz","doi":"10.1007/s10825-025-02472-6","DOIUrl":"10.1007/s10825-025-02472-6","url":null,"abstract":"<div><p>Two-dimensional (2D) van der Waals multiferroics constitute an innovative platform for exploring coupled electronic and magnetic phenomena at the atomic scale. Here, we investigate monolayer MnI<sub>2</sub>, an antiferromagnetic (AFM) material with intrinsic spin–valley coupling and geometrically frustrated lattice symmetry, to elucidate its magnetoelectric responses under the application of external electric fields (E-fields). Using advanced first-principles calculations, we demonstrate that MnI<sub>2</sub> exhibits a semiconducting electronic structure with spin-polarized valleys governed by strong electron correlations and asymmetric <i>d</i>-<i>p</i> hybridization. A dynamic interplay between in-plane E-fields and the material’s triangular Mn sublattice governs a competition between ferromagnetic (FM) and antiferromagnetic (AFM) exchange interactions, resulting in oscillatory magnetoelectric coupling and anisotropic phase transitions. Directional selectivity emerges as a hallmark: in-plane fields induce valley selective metallicity and modulate magnetic anisotropy through ligand-mediated charge redistribution, whereas out-of-plane-oriented fields preserve interlayer magnetic coherence and valley degeneracy. This anisotropy is further amplified by spin–valley locking, where E-field-driven charge transfer creates a feedback loop between valley polarization and magnetic moment reorientation. The material’s ability to host electrically tunable AFM-FM transitions, coupled with its compatibility with van der Waals heterostructures, positions MnI<sub>2</sub> as a promising candidate for quantum hybrid heterostructures. Our findings establish a framework for engineering 2D multiferroics with coupled spin, charge, and valley degrees of freedom, paving the way for low-power spintronic and valleytronic nanodevices.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"25 1","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145778777","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Tailoring the electronic structure and charge transport in triphenylamine-based hole transporting materials for high-performance perovskite solar cells 在高性能钙钛矿太阳能电池中裁剪三苯胺基空穴传输材料的电子结构和电荷传输

IF 2.5 4区工程技术

Journal of Computational Electronics Pub Date : 2025-12-13 DOI: 10.1007/s10825-025-02447-7

Yusra Rahman, Waqar Ali Zahid, Lamia Abu El Maati, Muneerah Aloma, Samira Elaissi, Javed Iqbal

{"title":"Tailoring the electronic structure and charge transport in triphenylamine-based hole transporting materials for high-performance perovskite solar cells","authors":"Yusra Rahman, Waqar Ali Zahid, Lamia Abu El Maati, Muneerah Aloma, Samira Elaissi, Javed Iqbal","doi":"10.1007/s10825-025-02447-7","DOIUrl":"10.1007/s10825-025-02447-7","url":null,"abstract":"<div><p>Hole transport materials (HTMs) with uniform films, appropriate band alignment, high hole mobility, and processability are crucial for effective perovskite solar cells (PSCs). Herein, we designed and investigated four triphenylamine-based HTMs (M1 to M4) using thiophene-bridged acceptor engineering. Our results revealed that M1–M4 HTMs possess more negative HOMO energies, high solubility, narrower bandgaps, and maximum absorption ranging from 395 to 463 nm, along with lower reorganization energies compared to the reference HTM (R). The engineered M1 to M4 HTMs exhibit lower binding energy values, particularly those with electron-withdrawing groups, indicating enhanced exciton dissociation and improved charge transfer. The TDM analysis further demonstrated that these HTMs exhibit higher exciton dissociation and reduced electron coupling. The open-circuit voltage of the studied HTMs is 2.21 eV (R), 2.51 eV (M1), 2.46 eV (M2), 2.49 eV (M3), and 2.44 eV (M4), highlighting their potential as promising materials for PSCs. The incorporation of thiophene-bridged end-capped acceptors proves to be an effective strategy for developing high-efficiency materials for PSCs. Thus, the engineered M1 to M4 HTMs demonstrate significant promise for application in the solar industry.</p><h3>Graphic Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"25 1","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145729861","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Theoretical study of magnetic photonic crystal fiber of cerium-substituted YIG (Ce: YIG) filled with magnetic fluid (Fe3O4) 磁流体（Fe3O4）填充铈取代YIG （Ce: YIG）磁性光子晶体光纤的理论研究

IF 2.5 4区工程技术

Journal of Computational Electronics Pub Date : 2025-12-12 DOI: 10.1007/s10825-025-02462-8

Hamza Otmani, Abdallah Azzaoui

{"title":"Theoretical study of magnetic photonic crystal fiber of cerium-substituted YIG (Ce: YIG) filled with magnetic fluid (Fe3O4)","authors":"Hamza Otmani, Abdallah Azzaoui","doi":"10.1007/s10825-025-02462-8","DOIUrl":"10.1007/s10825-025-02462-8","url":null,"abstract":"<div><p>In this paper, we focus our study on the magnetic photonic crystal fiber (MPCF) made of cerium-substituted yttrium iron garnet (Ce: YIG), which contains magnetic fluid (MF) in the air holes. Like several other optical devices, isolators utilize a phenomenon called Faraday rotation (FR) to prevent reflections. FR rotates linearly polarized light when it travels parallel to a magnetic field. Cerium-substituted yttrium iron garnet (Ce: YIG) exhibits low optical absorption at telecommunication frequencies and a large Faraday rotation coefficient. The variations in mode conversion from TE to TM as a function of the gyrotropy parameter (g) for TE and TM polarizations are numerically simulated at the telecommunication wavelength <i>λ</i> = 1.55 μm. We demonstrate FR and modal birefringence following polarization and gyrotropy. We observe an increase in FR and modal birefringence for TM and TE polarizations as <i>g</i> increases. We propose MPCF for integrated magneto-optical applications based on these findings. Moreover, a new isolator built into a photonic crystal fiber is constructed using Ce: YIG and MF. The results indicate that the two modes periodically exchange power. The impact of gyrotropy on the coupling length is evident. The results show that the two modes periodically exchange power. The influence of gyrotropy on the coupling length is evident. Additionally, the findings indicate that FR and modal birefringence directly affect TE-TM-mode conversion, with Faraday rotation (FR) reaching 8940°/cm and modal birefringence (ΔN) of 40.8881 × 10⁻<sup>4</sup>. This effect is also considerably stronger than in conventional fibers.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"25 1","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145730229","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Accelerating perovskite solar cell design using machine learning: a comparative study on Pb and Sn compositions 利用机器学习加速钙钛矿太阳能电池设计：Pb和Sn组成的比较研究

IF 2.5 4区工程技术

Journal of Computational Electronics Pub Date : 2025-12-12 DOI: 10.1007/s10825-025-02465-5

Debajyoti Biswas, Shikha Marwaha

{"title":"Accelerating perovskite solar cell design using machine learning: a comparative study on Pb and Sn compositions","authors":"Debajyoti Biswas, Shikha Marwaha","doi":"10.1007/s10825-025-02465-5","DOIUrl":"10.1007/s10825-025-02465-5","url":null,"abstract":"<div><p>Perovskite solar cells have been under extensive investigation for the past few decades as they promise higher efficiency and lower cost of production compared to current silicon-based solar cells. The implementation of any perovskite either in single or multijunction solar cells is mainly dependent upon its energy bandgap. The existing methods to determine and predict the bandgap of a perovskite are time-consuming, expensive and resource intensive. In this work, we discuss leveraging machine learning algorithms and techniques to identify the key compositions influencing the bandgap of lead (Pb) and tin (Sn)-based perovskite solar cells. For Pb-based perovskite solar cells, Cs<sub>a</sub>FA<sub>b</sub>MA<sub>(1-a-b)</sub>Pb(Cl<sub>x</sub>Br<sub>y</sub>I<sub>(1-x–y)</sub>)<sub>3</sub> configuration has been considered to predict the impact of composition on the bandgap by applying various machine learning models. Similarly, for Sn-based perovskite solar cells, we have investigated Cs<sub>a</sub>FA<sub>b</sub>MA<sub>(1-a-b)</sub>Sn(Cl<sub>x</sub>Br<sub>y</sub>I<sub>(1-x–y)</sub>)<sub>3</sub> configuration to precisely make the bandgap prediction. The machine learning models are applied for both the configurations by considering 80:20 ratio for trained and tested datasets. For Pb-based perovskite solar cells, the neural network model predicted the bandgap with highest accuracy, whereas the ExtraTreeRegressor model performed best for predicting the bandgap of Sn-based perovskites. These findings demonstrate the potential of machine learning to accelerate the development of high-efficiency, cost-effective perovskite materials, offering a transformative approach for the photovoltaic industry in its shift toward next-generation solar technologies.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"25 1","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145730228","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Computational analysis of ring core segmented cladding photonic crystal fiber to study OAM modes in telecommunication band 环芯分段包层光子晶体光纤的计算分析研究电信波段OAM模式

IF 2.5 4区工程技术

Journal of Computational Electronics Pub Date : 2025-12-10 DOI: 10.1007/s10825-025-02466-4

Aditya Kumar, Akash Khamaru, Deepak Garg, Ajeet Kumar

引用次数: 0

Advanced design and optoelectronic evaluation of Sr3BiBr3-based perovskite solar cells: insights into transport layers via simulation and machine learning 基于sr3bibr3的钙钛矿太阳能电池的先进设计和光电评估：通过模拟和机器学习对传输层的见解

IF 2.5 4区工程技术

Journal of Computational Electronics Pub Date : 2025-12-06 DOI: 10.1007/s10825-025-02463-7

Bipul Chandra Biswas, Asadul Islam Shimul, Indrojit Paul, Karim Kriaa, Mohamed Benghanem, S. AlFaify, Md. Azizur Rahman, Noureddine Elboughdiri

{"title":"Advanced design and optoelectronic evaluation of Sr3BiBr3-based perovskite solar cells: insights into transport layers via simulation and machine learning","authors":"Bipul Chandra Biswas, Asadul Islam Shimul, Indrojit Paul, Karim Kriaa, Mohamed Benghanem, S. AlFaify, Md. Azizur Rahman, Noureddine Elboughdiri","doi":"10.1007/s10825-025-02463-7","DOIUrl":"10.1007/s10825-025-02463-7","url":null,"abstract":"<div><p>This research introduces a sophisticated computational methodology that combines DFT, SCAPS-1D simulations, and machine learning to enhance the development of lead-free Sr<sub>3</sub>BiBr<sub>3</sub> perovskite solar cells (PSCs). DFT simulations indicate that Sr<sub>3</sub>BiBr<sub>3</sub> possesses a direct bandgap of 1.44 eV, elevated absorption coefficients, and remarkable stability, making it an excellent choice for solar energy applications. SCAPS-1D simulations were utilized to evaluate device performance by examining different electron transport layers (ETLs), including WS<sub>2</sub>, C<sub>60</sub>, SnS<sub>2</sub>, and IGZO, as well as hole transport layers (HTLs) such as CuI, CFTS, and Cu<sub>2</sub>O. Among the configurations evaluated, the pairing of WS<sub>2</sub> as ETL and Cu<sub>2</sub>O as HTL attained the maximum power conversion efficiency (PCE) of 30.18%, while the configurations utilizing CuI and CFTS exhibited PCEs of 27.44% and 23.52%, respectively. Additionally, three machine learning models, Random Forest (RF), Gradient Boosting (GB), and Decision Tree Regressor (DTR), were used to forecast the optical performance of PSCs based on 10,989 SCAPS-1D simulated datasets. The models were trained on 80% and tested on 20% of critical PSC parameters, with prediction accuracy evaluated using error measures such as RMSE, MSE, MAPE, and <i>R</i><sup>2</sup>. Of the three, RF attained the highest accuracy (RMSE = 0.0779, <i>R</i><sup>2</sup> = 0.9973), surpassing both GB and DTR. SHAP analysis indicated that defect density, interface defects, and acceptor density were the predominant factors affecting PCE. The RF model exhibited significant predictive accuracy, great generalization, and efficient feature importance assessment, establishing it as the most dependable approach for projecting PSC efficiency.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"25 1","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145675586","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Dynamic catastrophe optimization via MTBO for millimeter-wave GaN HEMT small-signal modeling 基于MTBO的毫米波GaN HEMT小信号建模动态突变优化

IF 2.5 4区工程技术

Journal of Computational Electronics Pub Date : 2025-12-05 DOI: 10.1007/s10825-025-02469-1

Fei Xiang, Jingyu Chang, Haiyi Cai, Shaojie Zheng, Liwen Zhang, Jincan Zhang

{"title":"Dynamic catastrophe optimization via MTBO for millimeter-wave GaN HEMT small-signal modeling","authors":"Fei Xiang, Jingyu Chang, Haiyi Cai, Shaojie Zheng, Liwen Zhang, Jincan Zhang","doi":"10.1007/s10825-025-02469-1","DOIUrl":"10.1007/s10825-025-02469-1","url":null,"abstract":"<div><p>We propose a method, based on the Mountaineering Team-Based Optimization (MTBO) algorithm, to extract the small-signal model parameters of a GaN HEMT. Traditional optimization algorithms, like Particle Swarm Optimization (PSO) and the Grey Wolf Optimizer (GWO), tend to remain trapped in local optima and have slow convergence speeds during parameter extraction. To overcome these limitations, dynamic parameter control strategies are introduced by the MTBO algorithm. Four key mechanisms are governed by these strategies, including Coordinated Mountaineering, Disaster Response, Synergized Disaster Resilience, and Member Replacement. Both global search capability and convergence stability in the optimization process are significantly enhanced by this approach. A GaN HEMT small-signal equivalent circuit model is constructed, with the intrinsic parameters extracted and optimized through the application of the MTBO algorithm. A comparative analysis is conducted using the PSO and GWO algorithms. Experimental results show that, within the frequency range of 0.5–20.5 GHz, the MTBO algorithm outperforms the PSO and GWO algorithms in both <i>S</i>-parameters fitting accuracy and convergence speed, providing a more accurate representation of the device characteristics.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"25 1","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-12-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145675506","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Machine learning-based prediction of the impact of random grain boundary Z-interference on Vt distribution in 3-D NAND flash memory 基于机器学习的三维NAND闪存随机晶界z干扰对Vt分布影响预测

IF 2.5 4区工程技术

Journal of Computational Electronics Pub Date : 2025-11-25 DOI: 10.1007/s10825-025-02459-3

Hwanheechan Choi, Hyungjun Jo, Sangmin Ahn, Insang Han, Hyungcheol Shin

{"title":"Machine learning-based prediction of the impact of random grain boundary Z-interference on Vt distribution in 3-D NAND flash memory","authors":"Hwanheechan Choi, Hyungjun Jo, Sangmin Ahn, Insang Han, Hyungcheol Shin","doi":"10.1007/s10825-025-02459-3","DOIUrl":"10.1007/s10825-025-02459-3","url":null,"abstract":"<div><p>In this paper, we propose a simulator and methodology for predicting the program threshold voltage (V<sub>t</sub>) distribution in charge trap-based 3-D NAND flash memory, considering z-direction interference (Z-interference) induced by random grain boundaries (GB) within the polycrystalline silicon (poly-Si) channel. Most previous studies have modeled Z-interference by fixing the GB or have investigated the V<sub>t</sub> distribution without including Z-interference arising from random GB characteristics. However, there is a lack of research analyzing Z-interference in the program V<sub>t</sub> distribution that results from random GB characteristics. Consequently, electrical characteristics corresponding to cell variation and GB variation were trained into a machine learning model through Technology Computer-Aided Design (TCAD) simulations to comprehensively analyze Z-interference and Vt distribution formation in victim (Vic) cells influenced by additional factors determined by random program verify (PV) levels of aggressor (Agr) cells, thereby performing Monte Carlo simulations on random strings. The proposed simulator enables prediction of the Vt distribution with Z-interference under both random and specific GB conditions, suggesting that precise control of grain boundaries during the fabrication process can establish useful design guidelines for process optimization in 3-D NAND flash memory.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"25 1","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10825-025-02459-3.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145612390","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Electronic and transport properties of a sulfur chain encapsulated carbon nanotube 硫链封装碳纳米管的电子和输运性质

IF 2.5 4区工程技术

Journal of Computational Electronics Pub Date : 2025-11-24 DOI: 10.1007/s10825-025-02461-9

Sourav Mazumdar, Nabajyoti Baildya, Surajit Saha, Narendra Nath Ghosh, Soma Mitra, Subrata Sarkar

{"title":"Electronic and transport properties of a sulfur chain encapsulated carbon nanotube","authors":"Sourav Mazumdar, Nabajyoti Baildya, Surajit Saha, Narendra Nath Ghosh, Soma Mitra, Subrata Sarkar","doi":"10.1007/s10825-025-02461-9","DOIUrl":"10.1007/s10825-025-02461-9","url":null,"abstract":"<div><p>Herein we have demonstrated a comprehensive analysis of the electronic structure and transport properties of the (5, 5), (7, 7), (11, 11) CNTs encapsulated with the simple sulfur chain and helical sulfur chain. Electronic structure calculation and geometric parameter evaluation clearly depict that compared to the simple chain, the helical sulfur chain has a huge impact on the (5, 5), (11, 11) CNTs and a substantial charge transfer event occurs between these moieties. Projected density of states (PDOS) and band structure calculation confirms that both simple and helical sulfur chains couple with the conduction bands of CNTs and alter the conduction band by introduction of orbitals from the sulfur chain level. From the current–voltage curve, we can argue that up to 1 eV voltage bias, the helical sulfur chain encapsulated composite showed higher current transport and significant enhancement of quantum conductance is achieved for a (5, 5) CNT-helical sulfur composite. Hence both a simple sulfur chain and helical sulfur chain could be an active element tuning the electronic and transport properties of carbon nanotube-based nanocomposite.</p></div>","PeriodicalId":620,"journal":{"name":"Journal of Computational Electronics","volume":"25 1","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145612775","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0