Micro and Nanostructures最新文献_第9页

Boosting external quantum efficiency of AlGaN-based deep-ultraviolet LEDs enabled by heuristic optimization-based inverse design 基于启发式优化的反设计提高深紫外发光二极管的外量子效率

IF 2.7

Micro and Nanostructures Pub Date : 2025-07-16 DOI: 10.1016/j.micrna.2025.208275

Jinglei Wang , Huimin Lu , Yifan Zhu , Xuecheng Wei , Jianhua Ma , Zihua Zhang , Tongjun Yu , Hua Yang , Jianping Wang

{"title":"Boosting external quantum efficiency of AlGaN-based deep-ultraviolet LEDs enabled by heuristic optimization-based inverse design","authors":"Jinglei Wang , Huimin Lu , Yifan Zhu , Xuecheng Wei , Jianhua Ma , Zihua Zhang , Tongjun Yu , Hua Yang , Jianping Wang","doi":"10.1016/j.micrna.2025.208275","DOIUrl":"10.1016/j.micrna.2025.208275","url":null,"abstract":"<div><div>In this study, with the aim of concurrently enhancing the internal quantum efficiency (IQE) and light extraction efficiency (LEE) of AlGaN-based deep ultraviolet light-emitting diodes (DUV LEDs), thus boosting the external quantum efficiency (EQE), a novel method for the inverse design of step-like quantum wells (QWs) and superlattice electron blocking layers (SL EBLs) based on intelligent optimization algorithms is put forward. Initially, an optimization problem aimed at maximizing EQE regarded as the product of IQE and LEE is formulated. The Al composition and thickness gradient of the step-like QWs, along with the Al composition gradient of the SL EBL, are set as decision variables. An intelligent optimization algorithm is then utilized to address this optimization problem. The results demonstrate that, based on the optimized structure, the overlap of the carrier wave functions in the active region of the DUV LED is significantly increased, which can effectively mitigate electron leakage and promote hole injection, thus enhancing the IQE. Moreover, the optimized structure increases the TE-polarization percentage, which results in an improved LEE. As a result, the optimized structure shows a 32 % and 9.7 % increase in IQE and LEE, respectively, at an injection current density of 200 A/cm<sup>2</sup>, and the EQE exhibits a remarkable 45 % improvement.</div></div>","PeriodicalId":100923,"journal":{"name":"Micro and Nanostructures","volume":"207 ","pages":"Article 208275"},"PeriodicalIF":2.7,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144686208","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Design and optimization of Cs2AgInBr6/CsSnI3-based dual-absorber inorganic perovskite solar cell for enhanced broadband absorption 基于Cs2AgInBr6/ cssni3的双吸收体无机钙钛矿太阳能电池的设计与优化

IF 2.7

Micro and Nanostructures Pub Date : 2025-07-16 DOI: 10.1016/j.micrna.2025.208274

Janmoni Borah , Smriti Baruah

{"title":"Design and optimization of Cs2AgInBr6/CsSnI3-based dual-absorber inorganic perovskite solar cell for enhanced broadband absorption","authors":"Janmoni Borah , Smriti Baruah","doi":"10.1016/j.micrna.2025.208274","DOIUrl":"10.1016/j.micrna.2025.208274","url":null,"abstract":"<div><div>This article introduces an innovative dual-absorber solar cell design using Dicesium Silver Indium Hexabromide (Cs<sub>2</sub>AgInBr<sub>6</sub>) and Cesium Tin Tri-iodide (CsSnI<sub>3</sub>) in a FTO/ZnO/Cs<sub>2</sub>AgInBr<sub>6</sub>/CsSnI<sub>3</sub>/CFTS heterojunction architecture. The optimal energy band alignment, along with structural and electrical parameter optimization of the Cs<sub>2</sub>AgInBr<sub>6</sub>/CsSnI<sub>3</sub> dual-absorber configuration, enhances power conversion efficiency (PCE), overcoming limitations in single-absorber Cs<sub>2</sub>AgInBr<sub>6</sub> perovskite photovoltaic cells (PPCs). This enhancement is due to the synergistic effects between absorbers, improving light absorption and charge carrier dynamics. Using SCAPS-1D, critical parameters such as absorber thickness, defect density, and carrier transport layers were optimized. The dual-absorber achieved a PCE of 25.32 %, <em>V</em><sub>oc</sub> of 0.95 V, fill factor of 86 %, and <em>J</em><sub>sc</sub> of 31.9 mA/cm<sup>2</sup>, outperforming the 11.96 % PCE of single-absorber PPCs. A peak quantum efficiency (QE) of 90 % spanning over 300–1000 nm wavelength range was also obtained, surpassing the 79 % QE of single absorbers over 300–830 nm.</div></div>","PeriodicalId":100923,"journal":{"name":"Micro and Nanostructures","volume":"207 ","pages":"Article 208274"},"PeriodicalIF":2.7,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144655192","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Single event burnout in field plate termination for 4H–SiC Schottky barrier diodes 4H-SiC肖特基势垒二极管场极板终端单事件烧蚀

IF 2.7

Micro and Nanostructures Pub Date : 2025-07-16 DOI: 10.1016/j.micrna.2025.208273

Xinfang Liao , Yintang Yang , Yi Liu

{"title":"Single event burnout in field plate termination for 4H–SiC Schottky barrier diodes","authors":"Xinfang Liao , Yintang Yang , Yi Liu","doi":"10.1016/j.micrna.2025.208273","DOIUrl":"10.1016/j.micrna.2025.208273","url":null,"abstract":"<div><div>This paper presents the electro-thermal coupled simulation results of single event burnout (SEB) in field plate (FP) termination for 4H–SiC Schottky barrier diodes (SBDs). The heavy ion strike at the SiC/SiO<sub>2</sub>/metal intersection is proved to be the worst case for SEB, and the catastrophic failure is related to the large current density and rapid heat accumulation at the SiC/SiO<sub>2</sub>/metal intersection, because the high electric field at this region can induce strong localized avalanche multiplication of the heavy ion-induced carriers. Then, based on the failure mechanism analysis, we discuss the possible hardening techniques. The simulations show that introducing a buffer layer between the N<sup>−</sup> epi-layer and the N<sup>+</sup> substrate can effectively reduce the sensitivity of the device to heavy ion radiation, but we have to make a compromise between the SEB tolerance and the on-state resistance. Besides, the carrier lifetime control is proved to be a promising hardening technique. When the carrier lifetime in the N<sup>−</sup> epi-layer is lower than a certain value, the SEB tolerance can be significantly improved without sacrificing the electrical performance of the device.</div></div>","PeriodicalId":100923,"journal":{"name":"Micro and Nanostructures","volume":"207 ","pages":"Article 208273"},"PeriodicalIF":2.7,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144662634","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Doped boron phosphide nanotubes for nedaplatin transportation: a theoretical investigation 掺杂磷化硼纳米管用于奈达铂转运的理论研究

IF 2.7

Micro and Nanostructures Pub Date : 2025-07-16 DOI: 10.1016/j.micrna.2025.208272

A.C. Martínez-Olguín , M.T. Romero de la Cruz , R. García-Díaz , Gregorio H. Cocoletzi , Yuliana Avila-Alvarado

{"title":"Doped boron phosphide nanotubes for nedaplatin transportation: a theoretical investigation","authors":"A.C. Martínez-Olguín , M.T. Romero de la Cruz , R. García-Díaz , Gregorio H. Cocoletzi , Yuliana Avila-Alvarado","doi":"10.1016/j.micrna.2025.208272","DOIUrl":"10.1016/j.micrna.2025.208272","url":null,"abstract":"<div><div>After the synthesis of carbon nanotubes (CNT), these nanostructures have attracted the attention of scientists because they may be used in molecule transportation. Nanotubes analogous to CNTs, such as boron phosphide nanotubes (BPNTs), in the zigzag chirality, are important because theoretical predictions indicate that they are soluble in polar solvents. Therefore, they may be appropriate for applications in biological systems. We have investigated the structural and electronic properties of the (14,0) BPNTs in pristine form and doped with C/Ti, analyzing their interaction with nedaplatin in different configurations. First-principles total-energy calculations were performed using density functional theory (DFT) within the Quantum ESPRESSO package. Exchange–correlation energies were treated with the generalized gradient approximation (GGA) using the Perdew, Burke, Ernzerhof (PBE) functional, while electron–ion interactions were modeled with PAW pseudopotentials. In all calculations, long-range van der Waals interactions were accounted for by including the Grimme DFT-D2 dispersion correction scheme.</div><div>When the molecule forms bonds, it undergoes chemisorption. However, the molecule is physisorbed for the C-doped BPNT (P site), as confirmed by the absence of bond formation. High adsorption energy values are attributed to van der Waals interactions. Negative adsorption energy value means stronger interactions between drugs and nanotubes; however, such high values would not benefit the desorption of the molecule. The most suitable systems are pristine BPNT (−2.04 eV), C-doped BPNT (B site) (−2.28 eV), and C-doped BPNT (P site) (−1.44 eV). Additionally, in the case of Ti, nanotube deformation is observed. Pristine and C-doped nanotubes are more favorable because these systems have adsorption energy that is good enough to bond and not too strong, so desorption is possible.</div></div>","PeriodicalId":100923,"journal":{"name":"Micro and Nanostructures","volume":"207 ","pages":"Article 208272"},"PeriodicalIF":2.7,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144695058","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Structural, optical and luminescence characterization of Co-doped ZnO thin films 共掺杂ZnO薄膜的结构、光学和发光特性

IF 2.7

Micro and Nanostructures Pub Date : 2025-07-14 DOI: 10.1016/j.micrna.2025.208271

R. Nettour , A. Kabir , A. Erdoğmuş , Ö.D. Kutlu , G. Schmerber

{"title":"Structural, optical and luminescence characterization of Co-doped ZnO thin films","authors":"R. Nettour , A. Kabir , A. Erdoğmuş , Ö.D. Kutlu , G. Schmerber","doi":"10.1016/j.micrna.2025.208271","DOIUrl":"10.1016/j.micrna.2025.208271","url":null,"abstract":"<div><div>Co inclusion in ZnO induced changes of structural and optical properties was studied using X-ray diffraction (XRD), Raman spectroscopy, ATR-FTIR spectroscopy, UV–Visible spectroscopy and photoluminescence spectroscopy (PL) respectively. As a function of Co molar ratio x in the precursor solution, XRD patterns of corresponding samples revealed a change of crystalline parameters of ZnO from x = 0.06. The appearance of Co<sub>3</sub>O<sub>4</sub> and Zn(OH)<sub>2</sub> secondary phases, for x = 0.10, suggested a slowdown of the reaction of the formation of ZnO induced by Co inclusion. These results were evidenced by Raman spectroscopy and ATR-FTIR spectroscopy. This last also revealed the enhancement of ZnO surface adsorption of CO<sub>2</sub> and H<sub>2</sub>O after Co inclusion. As a function of Co molar ratio, the mean transmittance in the visible light region decreased from 70.33 % to 23.25 % and the band gap energy E<sub>g</sub> decreased from 3.45 to 2.67 eV for x = 0.08. The increase of the band gap energy for x = 0.10 may be caused by the decrease of sp-d exchange interactions induced by the formation of Co<sub>3</sub>O<sub>4</sub> and Zn(OH)<sub>2</sub> phases. Except for x = 0.10, all PL spectra, presented an ultraviolet emission peak around 375 nm and a near infrared emission peak around 754 nm. The intensity of these two emission peaks decreased, as a function of Co molar ratio, to completely disappear, for x = 0.10, leading the place to a red emission peak around 697 nm, attributed to Co-based impurities, and other peaks, between 400 and 562 nm, attributed to deep level defects in ZnO. These results make this material suitable for use in the spintronics domain, in gas sensing devices, light emitting diodes (LED) and solar cells.</div></div>","PeriodicalId":100923,"journal":{"name":"Micro and Nanostructures","volume":"207 ","pages":"Article 208271"},"PeriodicalIF":2.7,"publicationDate":"2025-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144633779","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Efficient photocatalyst for overall water-splitting hydrogen generation using a direct Z-scheme MoTe2/SnS2 van der Waals heterostructure 采用直接z型MoTe2/SnS2范德华异质结构的高效全水裂解制氢光催化剂

IF 2.7

Micro and Nanostructures Pub Date : 2025-07-12 DOI: 10.1016/j.micrna.2025.208270

Hui-Ru Zhu, Yan Zhang, Ying-Ying Jia, Dou-Dou Cheng, Yi-Dan Feng, Li Duan

{"title":"Efficient photocatalyst for overall water-splitting hydrogen generation using a direct Z-scheme MoTe2/SnS2 van der Waals heterostructure","authors":"Hui-Ru Zhu, Yan Zhang, Ying-Ying Jia, Dou-Dou Cheng, Yi-Dan Feng, Li Duan","doi":"10.1016/j.micrna.2025.208270","DOIUrl":"10.1016/j.micrna.2025.208270","url":null,"abstract":"<div><div>In order to solve the problems of environmental pollution and energy crisis, searching an efficient photocatalyst is very important to transfer the solar energy to hydrogen energy. The MoTe<sub>2</sub>/SnS<sub>2</sub> heterojunction is constructed in this paper and the structural, electronic, optical and photocatalytic properties are investigated by first-principles calculation. The small lattice mismatch of 3.31 % makes it experimental fabricable. The thermodynamics and thermal stabilities are verified from the binding energy and AIMD simulation. A 0.149 |e| Bader charge is transferred from MoTe<sub>2</sub> side to SnS<sub>2</sub> side and thus a built-in electric field is formed with direction from MoTe<sub>2</sub> side to SnS<sub>2</sub> side as well as an electrostatic potential drop of 6.48 eV of the MoTe<sub>2</sub> layer than the SnS<sub>2</sub> layer. Three actions of the built-in electric field, the band bending and smaller band gap of 0.66 eV than 1.66 eV and 2.36 eV for MoTe<sub>2</sub> and SnS<sub>2</sub> layers respectively make the photogenerated carriers transfer through a direct Z-scheme mechanism. The photogenerated electrons are accumulated on the MoTe<sub>2</sub> CB and the photogenerated holes on the SnS<sub>2</sub> VB both with strong overpotentials to participate HER and OER and to generate H<sub>2</sub> and O<sub>2</sub> respectively. The broader and stronger optical absorption, higher STH efficiency of 29.13 %, and the stronger catalytic activity under acidic, neutral and weak alkaline <span><math><mrow><mo>(</mo><mrow><mtext>pH</mtext><mo><</mo><mn>9</mn></mrow><mo>)</mo></mrow></math></span> conditions confirm the potential application of the MoTe<sub>2</sub>/SnS<sub>2</sub> heterostructure in photocatalytic overall water-splitting.</div></div>","PeriodicalId":100923,"journal":{"name":"Micro and Nanostructures","volume":"207 ","pages":"Article 208270"},"PeriodicalIF":2.7,"publicationDate":"2025-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144655191","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

AlN/Ti2CO2 heterojunction photodetector with high carrier mobility and photoresponse 具有高载流子迁移率和光响应的AlN/Ti2CO2异质结光电探测器

IF 2.7

Micro and Nanostructures Pub Date : 2025-07-08 DOI: 10.1016/j.micrna.2025.208268

Zhen Cui , Zhuo Diao , Xinmei Wang , Xin Gao , Shuang Zhang , Lu Wang

{"title":"AlN/Ti2CO2 heterojunction photodetector with high carrier mobility and photoresponse","authors":"Zhen Cui , Zhuo Diao , Xinmei Wang , Xin Gao , Shuang Zhang , Lu Wang","doi":"10.1016/j.micrna.2025.208268","DOIUrl":"10.1016/j.micrna.2025.208268","url":null,"abstract":"<div><div>The AlN/Ti<sub>2</sub>CO<sub>2</sub> heterostructure was investigated using first-principles calculations, focusing on its stability, carrier mobility, photovoltaic effects, and optical/mechanical properties. The results reveal that it is a type-II indirect bandgap semiconductor with a bandgap of 0.48 eV. Notably, the constructed heterostructure exhibits a smaller bandgap compared to its individual components, facilitating efficient carrier transport at the interface. Furthermore, the carrier mobility along the zigzag direction reaches 1730 cm<sup>2</sup>/V·s, while the heterostructure also demonstrates strong light absorption across multiple wavelength ranges, achieving a maximum absorption coefficient of 5.09 × 10<sup>5</sup> cm<sup>−1</sup>. Additionally, its extinction ratio peaks at 44.97, and it exhibits robust elastic strain resistance with an average Young's modulus of 127.24. These findings collectively suggest that the AlN/Ti<sub>2</sub>CO<sub>2</sub> heterostructure holds promising potential for applications in optoelectronic devices and related fields.</div></div>","PeriodicalId":100923,"journal":{"name":"Micro and Nanostructures","volume":"207 ","pages":"Article 208268"},"PeriodicalIF":2.7,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144631533","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A triple-functional integration terahertz device based on trapezoidal and stub resonators in bulk Dirac semimetals waveguide structure 基于梯形和短段谐振腔的三功能集成太赫兹器件

IF 2.7

Micro and Nanostructures Pub Date : 2025-07-08 DOI: 10.1016/j.micrna.2025.208265

Xueyun Tang, Fang Chen

引用次数: 0

Photovoltaic performance optimization of CBTS based HTL integration in lead free perovskite solar cell: A SCAPS 1D simulation approach 基于CBTS的HTL集成在无铅钙钛矿太阳能电池中的光伏性能优化：一种SCAPS一维模拟方法

IF 2.7

Micro and Nanostructures Pub Date : 2025-07-05 DOI: 10.1016/j.micrna.2025.208267

Aman Yadav, Alok Kumar, Sushama M. Giripunje

{"title":"Photovoltaic performance optimization of CBTS based HTL integration in lead free perovskite solar cell: A SCAPS 1D simulation approach","authors":"Aman Yadav, Alok Kumar, Sushama M. Giripunje","doi":"10.1016/j.micrna.2025.208267","DOIUrl":"10.1016/j.micrna.2025.208267","url":null,"abstract":"<div><div>This study investigates the application of Copper Barium Tin Sulfide (CBTS) as HTL (hole transport layer) in FASnI<sub>3</sub>-based perovskite solar cells (PSCs). Traditional organic HTLs, such as PEDOT: PSS and Spiro-OMeTAD, exhibit issues including poor thermal stability, susceptibility to degradation, chemical incompatibility, and low intrinsic hole mobility. This study investigates the capability of Cu<sub>2</sub>BaSnS<sub>4</sub> (CBTS) as a viable material to mitigate existing limitations, assessing its suitability for enhanced photovoltaic performance and stability. Using the SCAPS-1D simulator, a cell structure of Au/CBTS/FASnI<sub>3</sub>/TiO<sub>2</sub>/FTO/Al achieved a power conversion efficiency (PCE) of 26.67 %, short-circuit current density (J<sub>SC</sub>) of 29.21 mA/cm<sup>2</sup>, with an open-circuit voltage (V<sub>OC</sub>) of 1.097 V, and fill factor (FF) of 83.20 %. In this work authors studied the band diagram and impact on PV parameters due to acceptor density, thickness, front and back contact work functions, radiative recombination, and defect density, temperature, electron affinity, Mott-Schottky plot and parasitic resistances. This work highlights the advantages of lead-free PSCs and opens new avenues for their application in advanced solar technologies such as tandem solar cells.</div></div>","PeriodicalId":100923,"journal":{"name":"Micro and Nanostructures","volume":"207 ","pages":"Article 208267"},"PeriodicalIF":2.7,"publicationDate":"2025-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144572960","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Extended Huckel DFT-based study of Icosagens passivation at the edge of armchair graphene nanoribbon for next generation nanoelectronics applications 基于扩展Huckel dft的扶手椅石墨烯纳米带边缘Icosagens钝化研究，用于下一代纳米电子学应用

IF 2.7

Micro and Nanostructures Pub Date : 2025-07-03 DOI: 10.1016/j.micrna.2025.208263

Anshul , Rishu Chaujar

{"title":"Extended Huckel DFT-based study of Icosagens passivation at the edge of armchair graphene nanoribbon for next generation nanoelectronics applications","authors":"Anshul , Rishu Chaujar","doi":"10.1016/j.micrna.2025.208263","DOIUrl":"10.1016/j.micrna.2025.208263","url":null,"abstract":"<div><div>This study explores the impact of edge passivation of pristine armchair graphene nanoribbons (P–AGNRs) with Icosagens group elements - boron (B), aluminum (Al), gallium (Ga), and indium (In) on the performance of graphene nanoribbon field-effect transistors (GNRFETs) for next-generation nano electronic applications. Using a tight-binding Hamiltonian with the Extended Huckel (EH) model and non-equilibrium Green's function (NEGF) approach under a self-consistent formalism (SCF), we evaluate key parameters such as spectral densities, real-space density, Hartree potential, transmission coefficient T(E), and drain current (I<sub>d</sub>). The passivation with Icosagens significantly reduces the bandgap, enhances the density of states (DOS), and increases T(E), compared to pristine AGNRs. These passivated AGNRs, when used as channel materials in gate stack GNRFETs (GS–GNRFETs), demonstrate remarkable improvements: I<sub>on</sub> increases from 1.06 μA to 18.4 μA, I<sub>off</sub> decreases from 1.49 × 10<sup>−10</sup> A to 5.43 × 10<sup>−16</sup> A, and the switching ratio (SR) improves from 0.711 × 10<sup>4</sup> to 0.35 × 10<sup>10</sup>. Analysis of analog performance metrics such as transconductance (g<sub>m</sub>) and device efficiency (DE) reveals that passivation with heavier Icosagens (Al, Ga) enables stronger electrostatic control and enhanced electron transport. Transmission spectrum (TS) and projected local density of states (PLDOS) analyses further support the above findings and the PLDOS contours and transmission pathways (TP) indicating higher tunneling probabilities in Al and Ga - passivated structures. Overall, Al and Ga - GNRFETs emerge as highly promising candidates for high-speed logic, low-power memory, quantum computing, and neuromorphic applications due to their superior switching, low leakage, and efficient charge transport.</div></div>","PeriodicalId":100923,"journal":{"name":"Micro and Nanostructures","volume":"207 ","pages":"Article 208263"},"PeriodicalIF":2.7,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144588292","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0