Advanced Theory and Simulations最新文献

{"title":"Structural and Electronic Properties of Corundum and Monoclinic (Al1-xInx)2O3 Alloys by First-Principles","authors":"Xiaoli Liu, Yimin Liao, Justin Goodrich, Hanlin Fu, Nelson Tansu, Chee-Keong Tan","doi":"10.1002/adts.202401407","DOIUrl":"https://doi.org/10.1002/adts.202401407","url":null,"abstract":"Ga₂O₃ ultrawide bandgap semiconductors have garnered significant attention in recent years due to their ultra-wide bandgap. In this study, the alternative III-oxide material using indium and aluminum mixing to form (Al_1-xIn_x)₂O₃ alloy (AlInO) is systematically investigated using hybrid density functional theory calculations. The lattice constants, bandgaps and bowing parameter are investigated for both corundum and monoclinic AlInO, with In-content ranging from 0 to 100%. A notable decrease in the bandgap energy of Al₂O₃ is observed with the increase of In content, providing a wide bandgap energy tuning range of 5.59 eV (corundum)/4.79 eV (monoclinic). In addition, results of band alignment present both type-I/type-II band offset in AlInO/β-Ga₂O₃ structure among the entire composition range. The bandgap energy of AlInO ranges from 7.93 to 2.77 eV for monoclinic AlInO, and 7.89 to 2.84 eV for corundum AlInO, in which the conduction band position exhibits a sharp upward and becomes dominant in bandgap tuning. Overall, the work indicated that AlInO alloys can potentially serve as lattice-matched materials with <i>β</i>-Ga₂O₃ for the electronic and optoelectronic applications, with promising surface and interface characteristics that merit further exploration.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"50 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143915659","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}

{"title":"Advanced Numerical Modeling and Simulation of Hydrogel-Based Chemo Fluidic Oscillator for Enhanced Insulin Delivery System in Diabetes Treatment: A Comparative and Sensitivity Analysis","authors":"Illych Alvarez, Esteban Pulley, Patrick Arévalo, Fernando Tenesaca, Ivy Peña Elaje","doi":"10.1002/adts.202500196","DOIUrl":"https://doi.org/10.1002/adts.202500196","url":null,"abstract":"This work presents a numerical model of a chemo-fluidic oscillator for controlled insulin delivery, utilizing the Euler-Taylor-Galerkin method. While advancements in automated insulin delivery systems, such as insulin pumps, have improved glucose management, these devices still rely on patient input. This leads to non-optimal management of glucose levels and increases the risk of hypoglycemia or hyperglycemia. In contrast to traditional electronic sensors, chemo-fluidic oscillators directly link chemical signals with fluidic control, offering a more integrated and responsive approach to diabetes management. The model describes the dynamics of a stimuli-responsive hydrogel and its chemical transport behavior, enabling the automated release of insulin into the bloodstream without the need for patient intervention. The study compares various numerical methods, evaluating their stability and accuracy, both crucial for reliable results of the dynamic behavior of the oscillator. Stability prevents divergent results, while accuracy is vital to avoid errors that can lead to unsafe insulin dosing. Results indicate that the model is robust, making it well-suited for advanced biomedical applications","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"47 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143915662","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}

{"title":"Principles of Selective Stacking 2D-SnS on FAPbI3 to Form Directional Polarity for Low-Cost Solar Energy Conversion","authors":"Jiaming Huang, Qipeng Yao, Linqin Jiang, Bo Wu, Lingyan Lin, Ping Li, Hao Xiong, Heng Jiang, Aijun Yang, Yu Qiu","doi":"10.1002/adts.202500043","DOIUrl":"https://doi.org/10.1002/adts.202500043","url":null,"abstract":"Metal halide perovskites have been extensively studied due to their exceptional optoelectronic properties. However, the fabrication of perovskite solar cells (PSCs) has been hindered by the poor stability and high costs of hole transport layers (HTLs) such as Spiro-OMeTAD. 2D materials, which can be stacked via van der Waals (vdW) forces to form heterostructures, open up new possibilities for atomic-scale engineering of perovskite devices. In this study, the electronic, optical properties of the FAPbI₃/SnS-vdW heterostructure are investigated using first-principles calculations. The SnS monolayer and the FAPbI₃ surface form a stable Type-II heterostructure with a smaller bandgap compared to their individual components. Through selective stacking of 2D-SnS at PbI₂ or FAI interfacial atoms, the charge transfer direction is changed accordingly. The favorable interfacial polarity, smaller distance, and stronger bonding of SnS/PbI₂ interface result in a better HTL properties. Simulations demonstrate that FAPbI₃/SnS-based PSCs achieves a power conversion efficiency (PCE) of 21.30%, comparable to the traditional FAPbI₃/Spiro-OMeTAD structure. Moreover, interfacial effects enhance the optical absorption of the FAPbI₃/SnS heterojunction, thus, the SnS-based PSC exhibits a high external quantum efficiency (EQE) with an extended absorption range. This work provides a novel perspective, designing principles for fabricating low-cost, high-performance PSCs based on vdW heterostructures.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"137 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143915663","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}

{"title":"Deep Reinforcement Learning Applied to Wake Steering","authors":"Carlos Ros Perez, Ankit Tyagi, Abhineet Gupta, Jasper Kreeft, Christian Michler","doi":"10.1002/adts.202500199","DOIUrl":"https://doi.org/10.1002/adts.202500199","url":null,"abstract":"Wake steering is a wind farm control strategy where the yaw angle of turbines is intentionally misaligned with the incoming wind direction to deflect the wake in such a way as to increase the power production from the downstream turbines in exchange for producing less power in the upstream turbines. This paper presents a Deep Reinforcement Learning approach for predicting the optimal turbine misalignment using steady-state flow simulations and the Proximal Policy Optimization (PPO) algorithm. This approach leads to a 2.25–5.27% improvement over the greedy strategy, averaged over all incident wind directions, with a computing time of less than 30 s per configuration, although it does not outperform the state-of-the-art optimizers.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"50 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143915596","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}

{"title":"Blue (Buckled) Versus Black (Puckered) Phosphorene Monolayers for Sensing Biomarkers Associated with Respiratory Diseases – A DFT Study","authors":"Surya Nagarathinam Senthilkumar, Senthilkumar Lakshmipathi","doi":"10.1002/adts.202500061","DOIUrl":"https://doi.org/10.1002/adts.202500061","url":null,"abstract":"This study investigates puckered (black) and buckled (blue) phosphorene for sensing volatile organic compounds (VOCs) linked to respiratory diseases. The semiconducting nature of both forms is confirmed by their bandgap and density of states. Heptanal shows the most adsorption in both monolayers. AIM analyses indicated the physisorption of VOCs, while the planar average potential and minimum work function suggest surface charge interactions. Blue phosphorene demonstrated high sensitivity (92.67% to 99.99%) for VOCs, compared to black phosphorene's 0.78% to 74.55%. Blue phosphorene also has a rapid recovery rate of 18 ps in the ultraviolet region. The Langmuir adsorption isotherm model indicates that under humid conditions, Blue phosphorene shows maximum surface coverage (θ) for biomarkers over vacuum media. Blue phosphorene demonstrates remarkable sensitivity toward all the volatile organic compounds (VOCs), including benzaldehyde, 2‐butanone, heptanal, and tetrahydrofuran, which makes it a promising material for sensing biomarkers associated with respiratory diseases. Overall, Buckled (blue) phosphorene is a better VOCs sensor material than puckered (black) phosphorene.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"24 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143920034","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}

{"title":"Bacterial-Based Molecular Communication: Simulation of a Fixed and Receding Receiver Scenarios in Varied Viscosities and Environmental Conditions","authors":"Mustafa Ozan Duman, Ibrahim Isik, Esme Isik, Mehmet Bilal Er","doi":"10.1002/adts.202500173","DOIUrl":"https://doi.org/10.1002/adts.202500173","url":null,"abstract":"This study introduces a novel bacterial-based molecular communication (BBMC) model for nanoscale information exchange, harnessing the chemotactic behavior of Escherichia coli (<i>E. coli</i>). A comprehensive 3D simulation framework is developed to analyze the impact of key parameters diffusion coefficient (<i>D</i>), chemoattractant release rate (<i>Q</i>), receiver (RX) speed (<i>u</i>), and initial transmitter-receiver distance (<i>d</i>) on communication performance. Results indicate that lower <i>D</i> values enhance the formation of chemoattractant gradients, leading to improved signal clarity and efficiency. Conversely, higher RX speeds distort these gradients, increasing signal reach time and reducing success rates. Elevated <i>Q</i> values significantly broaden the sensing range and improve reliability, particularly over larger distances, though their effect is diminished at high RX speeds. Notably, success rates drop sharply as <i>d</i> approaches the theoretical sensing threshold, underscoring the critical need for parameter tuning. Experimental results validate these findings and reveal a threshold beyond which bacterial movement becomes random, limiting effective signal transmission. These insights contribute to optimizing BBMC systems for greater efficiency and reliability. Applications include targeted drug delivery, environmental biosensing, and synthetic biology, where precise bacterial signaling is essential. The study also demonstrates simulation as a scalable, cost-efficient alternative to experimental methods, addressing complexity and feasibility in real-world scenarios.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"47 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143915597","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}

{"title":"Accurate and Efficient Behavioral Modeling of GaN HEMTs Using An Optimized Light Gradient Boosting Machine","authors":"Saddam Husain, Mohammad Hashmi, Fadhel M. Ghannouchi","doi":"10.1002/adts.202401565","DOIUrl":"https://doi.org/10.1002/adts.202401565","url":null,"abstract":"An accurate, efficient, and improved Light Gradient Boosting Machine (LightGBM) based Small-Signal Behavioral Modeling (SSBM) techniques are investigated and presented in this paper for Gallium Nitride High Electron Mobility Transistors (GaN HEMTs). GaN HEMTs grown on SiC, Si and diamond substrates of geometries 2 × 50 &lt;span data-altimg=\"/cms/asset/eb90342a-cca3-4c49-bc52-6b6439d6111a/adts70004-math-0001.png\"&gt;&lt;/span&gt;&lt;mjx-container ctxtmenu_counter=\"271\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" role=\"application\" sre-explorer- style=\"font-size: 103%; position: relative;\" tabindex=\"0\"&gt;&lt;mjx-math aria-hidden=\"true\" location=\"graphic/adts70004-math-0001.png\"&gt;&lt;mjx-semantics&gt;&lt;mjx-mrow data-semantic-annotation=\"clearspeak:simple;clearspeak:unit\" data-semantic-children=\"0,1\" data-semantic-content=\"2\" data-semantic- data-semantic-role=\"implicit\" data-semantic-speech=\"mu normal m\" data-semantic-type=\"infixop\"&gt;&lt;mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"italic\" data-semantic- data-semantic-parent=\"3\" data-semantic-role=\"greekletter\" data-semantic-type=\"identifier\"&gt;&lt;mjx-c&gt;&lt;/mjx-c&gt;&lt;/mjx-mi&gt;&lt;mjx-mo data-semantic-added=\"true\" data-semantic- data-semantic-operator=\"infixop,⁢\" data-semantic-parent=\"3\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\" style=\"margin-left: 0.056em; margin-right: 0.056em;\"&gt;&lt;mjx-c&gt;&lt;/mjx-c&gt;&lt;/mjx-mo&gt;&lt;mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"3\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\"&gt;&lt;mjx-c&gt;&lt;/mjx-c&gt;&lt;/mjx-mi&gt;&lt;/mjx-mrow&gt;&lt;/mjx-semantics&gt;&lt;/mjx-math&gt;&lt;mjx-assistive-mml display=\"inline\" unselectable=\"on\"&gt;&lt;math altimg=\"urn:x-wiley:25130390:media:adts70004:adts70004-math-0001\" display=\"inline\" location=\"graphic/adts70004-math-0001.png\" xmlns=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;semantics&gt;&lt;mrow data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple;clearspeak:unit\" data-semantic-children=\"0,1\" data-semantic-content=\"2\" data-semantic-role=\"implicit\" data-semantic-speech=\"mu normal m\" data-semantic-type=\"infixop\"&gt;&lt;mi data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"italic\" data-semantic-parent=\"3\" data-semantic-role=\"greekletter\" data-semantic-type=\"identifier\"&gt;μ&lt;/mi&gt;&lt;mo data-semantic-=\"\" data-semantic-added=\"true\" data-semantic-operator=\"infixop,⁢\" data-semantic-parent=\"3\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\"&gt;⁢&lt;/mo&gt;&lt;mi data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic-parent=\"3\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\" mathvariant=\"normal\"&gt;m&lt;/mi&gt;&lt;/mrow&gt;$umu{rm m}$&lt;/annotation&gt;&lt;/semantics&gt;&lt;/math&gt;&lt;/mjx-assistive-mml&gt;&lt;/mjx-container&gt;, 10 × 200 &lt;span data-altimg=\"/cms/asset/da6b8095-7d7b-4778-8053-c04798a7f7f2/adts70004-math-0002.png\"&gt;&lt;/span&gt;&lt;mjx-container ctxtmenu_counter=\"272\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" role=\"application\" sre-explorer- style=\"font-size: 1","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"11 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143915660","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}

{"title":"Simulation on the Miniaturization and Performance Improvement Study of Gr/MoS2 Based Vertical Field Effect Transistor","authors":"Sirsendu Ghosh, Anamika Devi Laishram, Pramod Kumar","doi":"10.1002/adts.202500139","DOIUrl":"https://doi.org/10.1002/adts.202500139","url":null,"abstract":"Vertical field effect transistors (VFETs) show many advantages such as high switching speed, low operating voltage, low power consumption, and miniaturization over lateral FETs. Graphene (Gr) and transition metal di-chalcogenides (TMDs) are attractive 2D materials for the next generation electronics due to their subnanometer monolayer thickness. The layer by layer structure in 2D materials allows device fabrication down to a monolayer or a few layers, hence advantageous for VOFETs. In this simulation work, the bulk molybdenum disulfide (MoS₂) is sandwiched between perforated monolayer graphene which acts as the source electrode, and aluminum (Al) as the top drain electrode. In addition to this, the minimization of the off-state current is carried out by modifications in the source contact geometry by insulating some part of the source electrode and introducing the extra MoS₂ layer between the source and gate dielectric named as buried layer. After the modification, the results show an improvement in OFF current, hence the ON/OFF ratio. The ON/OFF ratio of 10⁶ is achieved for the device with a gate width and channel length of 100 nm. Additionally, the gate width is miniaturized to 50 nm by introducing insulation on the source contact to achieve similar performance.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"38 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143910944","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}

{"title":"Anisotropic Surface Microrollers for Endovascular Navigation: A Computational Analysis with a Case Study in Hepatic Perfusion","authors":"Burak Arslan, Ugur Bozuyuk, Kıvanç Görgülü, Erdost Yildiz, Hakancan Ozturk, Lucia Liotta, Volker Heinemann, Hana Algül, Metin Sitti","doi":"10.1002/adts.202400387","DOIUrl":"https://doi.org/10.1002/adts.202400387","url":null,"abstract":"Magnetic surface microrollers have demonstrated promise as active drug delivery agents for targeted and minimally invasive disease treatment. Specifically, it can be employed in the circulatory system to locally release therapeutic agents at disease sites, minimizing systemic exposure and reducing side effects, particularly in the treatment of diseases like cancer. Previous research indicates that the design and shape of microrollers play a crucial role in safe navigation within blood vessels, with anisotropic microrollers exhibiting superiority due to favorable hydrodynamic interactions with nearby boundaries. In this study, the navigation potential of anisotropic microrollers is investigated in veins, venules, and capillaries through computational fluid dynamics analyses. These results indicate that robust locomotion is only achievable in larger vessels, such as veins. Subsequently, their performance is explored in a clinically relevant scenario – the hepatic circulation toward treating primary liver cancer or metastatic nodes of distant tumors (e.g., pancreatic cancer). Computational fluid dynamics analyses using the data from five different patients demonstrate that robust navigation can be achieved with high actuation frequencies. Overall, the findings presented in this study lay a preliminary foundation for the potential future application of surface microrollers in vivo.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"38 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143910857","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}

{"title":"Ultra‐Thin 2D/2D Material Heterojunction for Next‐Generation Solar Cells","authors":"Indumathi Elango, Dheebanathan Azhakanantham, Muthamizh Selvamani, Krishna Prakash Arunachalam, Arul Varman Kesavan","doi":"10.1002/adts.202500288","DOIUrl":"https://doi.org/10.1002/adts.202500288","url":null,"abstract":"Heterojunction solar cells are a notable improvement in solar cell technology, distinguished by the interface created by two distinct semiconductor materials. However, high manufacturing costs and complexity in the production process have limited the use of traditional HJTs. Given the current trend in solar cells toward using thinner absorber layers, it is evident that 2D materials with atomically thin structures and high flexibility are the most suitable options for integrating with next‐gen solar cell technology. Phosphorene, a recently emerged 2D material that has exceptional carrier mobility (≈4000 cm<jats:sup>2</jats:sup> V<jats:sup>−1</jats:sup> s<jats:sup>−1</jats:sup>), tunable bandgap (≈0.3 to 2 eV) and better mechanical flexibility has gained immense attention in various fields. On the other hand, MoS<jats:sub>2</jats:sub> a member of transition metal dichalcogenides possess tunable bandgap (≈1.2–2 eV), high carrier mobility (≈200 cm<jats:sup>2 </jats:sup>V<jats:sup>−1</jats:sup> s<jats:sup>−1</jats:sup>) and huge surface area making them highly suitable for a wide variety of applications. In this work, SCAPS‐1D simulation using 2D/2D material heterojunction solar cell is carried out for ITO/phosphorene/MoS<jats:sub>2</jats:sub>/Al device. The simulation focused on modifying bandgap and defect density (N<jats:sub>t</jats:sub>) of 2D semiconductors. Furthermore, impact of input light intensity on device performance are studied.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"64 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143909698","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}