Advanced Theory and Simulations最新文献_第3页

A Theoretical Investigation on Pt(II) Complexes Consisting of 4-phenyl-1,2,3-triazole With Variant Linker Groups: Electronic Structures, Spectral Characters and Luminescence Mechanism

IF 3.3 4区工程技术

Advanced Theory and Simulations Pub Date : 2025-03-10 DOI: 10.1002/adts.202401146

Dongting Huang, Pingjun Zhang, Jiannan Qin, Jingjie Tang, Fei Meng

{"title":"A Theoretical Investigation on Pt(II) Complexes Consisting of 4-phenyl-1,2,3-triazole With Variant Linker Groups: Electronic Structures, Spectral Characters and Luminescence Mechanism","authors":"Dongting Huang, Pingjun Zhang, Jiannan Qin, Jingjie Tang, Fei Meng","doi":"10.1002/adts.202401146","DOIUrl":"https://doi.org/10.1002/adts.202401146","url":null,"abstract":"Square planar Pt(II) complexes are promising candidates for use as luminophores in organic light-emitting diodes (OLEDs). Recently, Wang et al. reported their findings on Pt(II) complexes that incorporate 4-phenyl-1,2,3-triazole with various linker groups (O, CH2, C═O). These compounds exhibit different spectral characteristics and distinct quantum yields (Φp). In this work, a theoretical investigation of related Pt(II) complexes is presented utilizing density functional theory (DFT) and time-dependent DFT (TD-DFT) methods. This research encompasses the study of geometric structure, electronic structure, spectral analysis, and luminescence mechanisms. Various wavefunction analysis techniques are employed, including frontier orbital analysis, charge decomposition analysis, excited state analysis, and reorganization energy calculations, etc. This study elucidates the effects of linker groups and systematically addresses the relationships between the structure and optical properties of platinum (Pt) complexes. This research provides deeper insights into the structure of Pt(II) complexes and paves the way for the design of novel phosphorescent emitters.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"11 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143582491","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

Modeling Metal-Halide Perovskite Thin Film: Deterministic Voronoi Diagrams Based on Stochastic Correlated Nuclei

IF 3.3 4区工程技术

Advanced Theory and Simulations Pub Date : 2025-03-08 DOI: 10.1002/adts.202500115

Zhiyun Zeng, Jintian Pan, Quanqi Cheng, Yang Liu, Qing Song, Yue Wang, Zhen Yang, Deli Li, Yonghua Chen

{"title":"Modeling Metal-Halide Perovskite Thin Film: Deterministic Voronoi Diagrams Based on Stochastic Correlated Nuclei","authors":"Zhiyun Zeng, Jintian Pan, Quanqi Cheng, Yang Liu, Qing Song, Yue Wang, Zhen Yang, Deli Li, Yonghua Chen","doi":"10.1002/adts.202500115","DOIUrl":"https://doi.org/10.1002/adts.202500115","url":null,"abstract":"Metal-halide perovskite thin films, composed of grains, exhibit microstructures with regularity and intriguing geometries. However, the underlying geometric principles shaping these patterns remain unclear. In this study, the geometric and statistical properties of grain structures are investigated. Grain shapes are characterized by using equivalent radius and shape parameters such as circularity, aspect ratio, convexity, and solidity. These shape parameters with those of Voronoi diagrams generated from various models are compared, including correlated and uncorrelated center distributions. These findings reveal that the statistical properties, including means and standard deviation of the shape parameters, align closely with Voronoi diagrams based on random close packing of circle centers. This suggests that such Voronoi diagrams provide an accurate mathematical model for describing perovskite thin-film morphology. Furthermore, by integrating the correlated center distribution and Voronoi framework with the Avrami–Johnson–Mehl method, a model is proposed for nucleation, grain growth, and morphology evolution in perovskite thin films. This work offers a foundational perspective for understanding the film formation mechanisms of perovskite thin films, paving the way for enhanced control over their microstructures.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"87 6 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143576113","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 Exploration of Bioconvection Magneto Flow of Micropolar Nanomaterial Off-Centered Stagnation Point Framed by Rotating Disk

IF 3.3 4区工程技术

Advanced Theory and Simulations Pub Date : 2025-03-08 DOI: 10.1002/adts.202401345

Nehad Ali Shah, Farhan Ali, M. Faizan, S. S. Zafar

{"title":"Theoretical Exploration of Bioconvection Magneto Flow of Micropolar Nanomaterial Off-Centered Stagnation Point Framed by Rotating Disk","authors":"Nehad Ali Shah, Farhan Ali, M. Faizan, S. S. Zafar","doi":"10.1002/adts.202401345","DOIUrl":"https://doi.org/10.1002/adts.202401345","url":null,"abstract":"This study explores the bioconvection flow of MHD Micropolar nanomaterial having with motile microorganisms off-centered stagnation point across the rotating. The flow field study takes into account the impact of radiative flow, chemically reactive species, and the convective flow condition. The Buongiorno two-component nanoscale model is used to simulate Brownian movement with thermophoretic body force phenomena. Using dimensional similarity factors, the nonlinear partial differential equations related to boundary conditions are transformed by a complex dimensionless ordinary differential expression. The homotopy analysis method is applied to utilize the ordinary differential expression and envision the influence of resulting variables such as viscosity variable, spin gradient parameter, microinertia density parameter, porosity parameter, rotational parameter, Biot number, Brownian movement, thermal radiation, Prandtl number, and Bioconvection Lewis number over velocities, heat, and mass transfer characteristics in visually and the table formats. It is observed that the larger magnitude of the material variable, magnetic variable, and porosity variable reduces the radial velocity. Moreover, microrotational profiles depreciate quickly as spin gradient viscosity, micro-inertia density. The fluid temperature increases in direct correlation with thermal radiation, thermophoresis, and Biot number while microorganism density distribution reduces due to the larger values of Peclet number and Bioconvection Lewis number.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"10 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143576114","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

Research on Photovoltaic Power Prediction Method Based on Dynamic Similar Selection and Bidirectional Gated Recurrent Unit

IF 3.3 4区工程技术

Advanced Theory and Simulations Pub Date : 2025-03-08 DOI: 10.1002/adts.202401423

Qinghong Wang, Longhao Li

{"title":"Research on Photovoltaic Power Prediction Method Based on Dynamic Similar Selection and Bidirectional Gated Recurrent Unit","authors":"Qinghong Wang, Longhao Li","doi":"10.1002/adts.202401423","DOIUrl":"https://doi.org/10.1002/adts.202401423","url":null,"abstract":"Photovoltaic (PV) power generation is vital for sustainable energy development, yet its inherent randomness and volatility challenge grid stability. Accurate short-term PV power prediction is essential for reliable operation. This paper proposes an integrated prediction method combining dynamic similar selection (DSS), variational mode decomposition (VMD), bidirectional gated recurrent unit (BiGRU), and an improved sparrow search algorithm (ISSA). First, DSS selects training data based on local meteorological similarity, reducing randomness interference. VMD then decomposes PV power data into smooth components, mitigating volatility. The Pearson correlation coefficient is used to filter highly relevant meteorological variables, enhancing input quality. BiGRU captures temporal evolution patterns, with ISSA optimizing key parameters for robust forecasting. Validated on historical Australian PV data under diverse weather conditions, the proposed method effectively reduces randomness and volatility, significantly improving prediction accuracy and reliability. These advancements support stable PV power supply and efficient grid operation.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"53 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143575317","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

Performance Enhancement of NH3(CH2)4NH3CoCl4-Based Perovskite Solar Cell via DFT-Guided SCAPS-1D Simulations

IF 3.3 4区工程技术

Advanced Theory and Simulations Pub Date : 2025-03-08 DOI: 10.1002/adts.202401504

Sana Mazouar, Ilyas Chabri, Hafida Ziouani, Abdelilah Taoufik, El Mostafa Khechoubi, Mahmoud Ettakni

{"title":"Performance Enhancement of NH3(CH2)4NH3CoCl4-Based Perovskite Solar Cell via DFT-Guided SCAPS-1D Simulations","authors":"Sana Mazouar, Ilyas Chabri, Hafida Ziouani, Abdelilah Taoufik, El Mostafa Khechoubi, Mahmoud Ettakni","doi":"10.1002/adts.202401504","DOIUrl":"https://doi.org/10.1002/adts.202401504","url":null,"abstract":"This work provides an investigation into enhancing the performance of solar cells based <mjx-container ctxtmenu_counter=\"5\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" role=\"application\" sre-explorer- style=\"font-size: 103%; position: relative;\" tabindex=\"0\"><mjx-math aria-hidden=\"true\" location=\"graphic/adts202401504-math-0002.png\"><mjx-semantics><mjx-mrow data-semantic-annotation=\"clearspeak:unit\" data-semantic-children=\"0,3,14,15,18,19,22\" data-semantic-content=\"23,24,25,26,27,28\" data-semantic- data-semantic-role=\"implicit\" data-semantic-speech=\"normal upper N normal upper H 3 left parenthesis normal upper C normal upper H 2 right parenthesis Subscript 4 Baseline normal upper N normal upper H 3 upper C o upper C normal l 4\" data-semantic-type=\"infixop\"><mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"29\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\"><mjx-c></mjx-c></mjx-mi><mjx-mo data-semantic-added=\"true\" data-semantic- data-semantic-operator=\"infixop,⁢\" data-semantic-parent=\"29\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\" style=\"margin-left: 0.056em; margin-right: 0.056em;\"><mjx-c></mjx-c></mjx-mo><mjx-msub data-semantic-children=\"1,2\" data-semantic- data-semantic-parent=\"29\" data-semantic-role=\"latinletter\" data-semantic-type=\"subscript\"><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\"><mjx-c></mjx-c></mjx-mi><mjx-script style=\"vertical-align: -0.15em;\"><mjx-mn data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"3\" data-semantic-role=\"integer\" data-semantic-type=\"number\" size=\"s\"><mjx-c></mjx-c></mjx-mn></mjx-script></mjx-msub><mjx-mo data-semantic-added=\"true\" data-semantic- data-semantic-operator=\"infixop,⁢\" data-semantic-parent=\"29\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\" style=\"margin-left: 0.056em; margin-right: 0.056em;\"><mjx-c></mjx-c></mjx-mo><mjx-msub data-semantic-children=\"12,13\" data-semantic- data-semantic-parent=\"29\" data-semantic-role=\"leftright\" data-semantic-type=\"subscript\"><mjx-mrow data-semantic-children=\"10\" data-semantic-content=\"4,11\" data-semantic- data-semantic-parent=\"14\" data-semantic-role=\"leftright\" data-semantic-type=\"fenced\"><mjx-mo data-semantic- data-semantic-operator=\"fenced\" data-semantic-parent=\"12\" data-semantic-role=\"open\" data-semantic-type=\"fence\" style=\"margin-left: 0.056em; margin-right: 0.056em;\"><mjx-c></mjx-c></mjx-mo><mjx-mrow data-semantic-annotation=\"clearspeak:unit\" data-semantic-children=\"5,8\" data-semantic-content=\"9\" data-semantic- data-semantic-parent=\"12\" data-semantic-role=\"implicit\" data-semantic-type=\"infixop\"><mjx-mi data-semantic-annotation=\"clearspeak:simple\" d","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"12 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143575319","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

A Theoretical Investigation on Coupled Mass-charge Transport in a Binary Fluid

IF 3.3 4区工程技术

Advanced Theory and Simulations Pub Date : 2025-03-08 DOI: 10.1002/adts.202401371

Antonio Cappai, Daniele Loi, Claudio Melis, Luciano Colombo

{"title":"A Theoretical Investigation on Coupled Mass-charge Transport in a Binary Fluid","authors":"Antonio Cappai, Daniele Loi, Claudio Melis, Luciano Colombo","doi":"10.1002/adts.202401371","DOIUrl":"https://doi.org/10.1002/adts.202401371","url":null,"abstract":"A general theoretical framework is presented to address the coupled charge-mass transport regime in a non reactive, equimolar and binary mixture in the fluid phase. It is proved that, by starting from a microscopic definition of charge and mass currents, conservation laws dictate the form of the differential equations governing the time evolution of the temperature and mass density profiles along the transport direction. Furthermore, it is showed that the entire dynamics can be understood in terms of a generalized diffusivity <mjx-container ctxtmenu_counter=\"235\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" role=\"application\" sre-explorer- style=\"font-size: 103%; position: relative;\" tabindex=\"0\"><mjx-math aria-hidden=\"true\" location=\"graphic/adts202401371-math-0001.png\"><mjx-semantics><mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"italic\" data-semantic- data-semantic-role=\"greekletter\" data-semantic-speech=\"lamda\" data-semantic-type=\"identifier\"><mjx-c></mjx-c></mjx-mi></mjx-semantics></mjx-math><mjx-assistive-mml display=\"inline\" unselectable=\"on\"><math altimg=\"urn:x-wiley:25130390:media:adts202401371:adts202401371-math-0001\" display=\"inline\" location=\"graphic/adts202401371-math-0001.png\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><semantics><mi data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"italic\" data-semantic-role=\"greekletter\" data-semantic-speech=\"lamda\" data-semantic-type=\"identifier\">λ</mi>$lambda$</annotation></semantics></math></mjx-assistive-mml></mjx-container> and a frictional term <mjx-container ctxtmenu_counter=\"236\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" role=\"application\" sre-explorer- style=\"font-size: 103%; position: relative;\" tabindex=\"0\"><mjx-math aria-hidden=\"true\" location=\"graphic/adts202401371-math-0002.png\"><mjx-semantics><mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"italic\" data-semantic- data-semantic-role=\"greekletter\" data-semantic-speech=\"eta\" data-semantic-type=\"identifier\"><mjx-c></mjx-c></mjx-mi></mjx-semantics></mjx-math><mjx-assistive-mml display=\"inline\" unselectable=\"on\"><math altimg=\"urn:x-wiley:25130390:media:adts202401371:adts202401371-math-0002\" display=\"inline\" location=\"graphic/adts202401371-math-0002.png\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><semantics><mi data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"italic\" data-semantic-role=\"greekletter\" data-semantic-speech=\"eta\" data-semantic-type=\"identifier\">η</mi>$eta$</annotation></semantics></math></mjx-assistive-mml></mjx-container> due to the electrostatic effects. The present theoretical device is finally validated using as benchmark a two-component Lennard–Jones liquid system, for which <span data-altimg=\"/cms/asset/22b52388-94cd","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"383 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143575324","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

Entropy Generation Optimization for Casson Hybrid Nanofluid Flow Along a Curved Surface With Bioconvection Mechanism and Exothermic/Endothermic Catalytic Reaction

IF 3.3 4区工程技术

Advanced Theory and Simulations Pub Date : 2025-03-08 DOI: 10.1002/adts.202401554

Anup Kumar, Bhupendra K. Sharma, Madhu Sharma, Bandar Almohsen, Ioannis E. Sarris

{"title":"Entropy Generation Optimization for Casson Hybrid Nanofluid Flow Along a Curved Surface With Bioconvection Mechanism and Exothermic/Endothermic Catalytic Reaction","authors":"Anup Kumar, Bhupendra K. Sharma, Madhu Sharma, Bandar Almohsen, Ioannis E. Sarris","doi":"10.1002/adts.202401554","DOIUrl":"https://doi.org/10.1002/adts.202401554","url":null,"abstract":"This article deals with the heat and mass transfer analysis of Casson hybrid nanofluid flow over a curved Riga surface with slip conditions in the presence of gyrotactic microorganisms. The mechanism of Soret and Dufour effects, exothermic/endothermic catalytic reaction, and an exponential heat source are also investigated. The mixture of aluminum oxide and multi-walled carbon nanotubes with Therminol-VPI fluid is assumed as the hybrid nanofluid. Boundary layer assumptions are taken in the mathematical modeling of governing equations. Transformation variables are introduced to get the dimensionless governing equations. Numerical simulation of the transformed equations is done with the help of the Matlab computational tool using the Cash and Carp numerical method. Numerical results corresponding to the influential factors are plotted in graphs for velocity profile, temperature profile, concentration profile, drag coefficient, Nusselt number, Sherwood number, and entropy generation. It is observed that the fluid velocity diminishes with an enhancement in the curvature parameter, and fluid velocity enhances with an improvement in the suction parameter. Thermal profile improves for enhancing modified magnetic field parameter and drops with an increase in exponential index parameter. The microorganisms respond to temperature and concentration gradients, affecting the overall heat and mass transfer dynamics. This research aims to reveal the coupled effects of heat transfer, diffusion, and microorganism behavior in computational simulations, which have various applications in different sectors like electronics, chemical engineering, and material science.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"34 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143575325","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

Reconfigurable Metasurface for Enhanced Imaging and Image Denoising

IF 3.3 4区工程技术

Advanced Theory and Simulations Pub Date : 2025-03-07 DOI: 10.1002/adts.202400747

Sandeep Kumar Chamoli

{"title":"Reconfigurable Metasurface for Enhanced Imaging and Image Denoising","authors":"Sandeep Kumar Chamoli","doi":"10.1002/adts.202400747","DOIUrl":"https://doi.org/10.1002/adts.202400747","url":null,"abstract":"Optical metasurfaces (flat optics) allow unprecedented control over light, enabling multi-dimensional light modulation. We propose a non-local metasurface hosted by phase change material Sb2S3 for tunable image processing. It supports three imaging modalities: bright field, edge detection, and image denoising for intensity noise, functioning as diffractive image denoisers. The Structural Similarity Index Measure is used as a metric between the input noisy image and the denoised image. By tuning the phase of Sb2S3, its refractive index changes, effectively shifting the electromagnetic modes and resulting in these imaging modalities by providing the required optical transfer function (OTF). We optimized the metasurface design to achieve the required OTF and performed simulations on complex images with many corners and 2-dimensional structures. We introduced salt and pepper noise into the input image and conducted simulations to evaluate performance. We discuss the shape of the OTF for image denoising applications and its adaptation for simultaneous image denoising and edge detection, both of which involve high spatial frequencies of the object. Our dynamically tunable metasurface platform can seamlessly integrate with standard coherent imaging systems, enabling versatile operations on the input image.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"12 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143569495","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

Recommendation System to Predict the d-band Center of Core-Shell Bimetallic Nanoparticles Catalysts

IF 3.3 4区工程技术

Advanced Theory and Simulations Pub Date : 2025-03-06 DOI: 10.1002/adts.202401460

Sakshi Agarwal, Abhishek Singh

引用次数: 0

Phononic Crystal Locally-Resonant Cavity as a Gas Sensor for Detecting H2S at Room Temperature

IF 3.3 4区工程技术

Advanced Theory and Simulations Pub Date : 2025-03-06 DOI: 10.1002/adts.202401116

Hodjat Ahmadi, Farid Alidoust, Ali Rostami, Mahboubeh Dolatyari

{"title":"Phononic Crystal Locally-Resonant Cavity as a Gas Sensor for Detecting H2S at Room Temperature","authors":"Hodjat Ahmadi, Farid Alidoust, Ali Rostami, Mahboubeh Dolatyari","doi":"10.1002/adts.202401116","DOIUrl":"https://doi.org/10.1002/adts.202401116","url":null,"abstract":"A phononic crystal-based gas sensor is proposed for sensing a potentially deleterious gas, <mjx-container ctxtmenu_counter=\"10\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" role=\"application\" sre-explorer- style=\"font-size: 103%; position: relative;\" tabindex=\"0\"><mjx-math aria-hidden=\"true\" location=\"graphic/adts202401116-math-0002.png\"><mjx-semantics><mjx-mrow data-semantic-annotation=\"clearspeak:unit\" data-semantic-children=\"2,3\" data-semantic-content=\"4\" data-semantic- data-semantic-role=\"implicit\" data-semantic-speech=\"normal upper H 2 normal upper S\" data-semantic-type=\"infixop\"><mjx-msub data-semantic-children=\"0,1\" data-semantic- data-semantic-parent=\"5\" data-semantic-role=\"latinletter\" data-semantic-type=\"subscript\"><mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"2\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\"><mjx-c></mjx-c></mjx-mi><mjx-script style=\"vertical-align: -0.15em;\"><mjx-mn data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"2\" data-semantic-role=\"integer\" data-semantic-type=\"number\" size=\"s\"><mjx-c></mjx-c></mjx-mn></mjx-script></mjx-msub><mjx-mo data-semantic-added=\"true\" data-semantic- data-semantic-operator=\"infixop,⁢\" data-semantic-parent=\"5\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\" style=\"margin-left: 0.056em; margin-right: 0.056em;\"><mjx-c></mjx-c></mjx-mo><mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"5\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\"><mjx-c></mjx-c></mjx-mi></mjx-mrow></mjx-semantics></mjx-math><mjx-assistive-mml display=\"inline\" unselectable=\"on\"><math altimg=\"urn:x-wiley:25130390:media:adts202401116:adts202401116-math-0002\" display=\"inline\" location=\"graphic/adts202401116-math-0002.png\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><semantics><mrow data-semantic-=\"\" data-semantic-annotation=\"clearspeak:unit\" data-semantic-children=\"2,3\" data-semantic-content=\"4\" data-semantic-role=\"implicit\" data-semantic-speech=\"normal upper H 2 normal upper S\" data-semantic-type=\"infixop\"><msub data-semantic-=\"\" data-semantic-children=\"0,1\" data-semantic-parent=\"5\" data-semantic-role=\"latinletter\" data-semantic-type=\"subscript\"><mi data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic-parent=\"2\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\" mathvariant=\"normal\">H</mi><mn data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic-parent=\"2\" data-semantic-role=\"integer\" data-semantic-type=\"number\">2</mn></msub><mo data-semantic-=\"\" data-semantic-added=\"true\" data-semantic-operator=\"infixop,⁢\" data-semantic-parent=\"5\" data-semantic-role=\"multiplication\" da","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"29 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143569767","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