Pub Date : 2024-07-26DOI: 10.1016/j.cap.2024.07.008
Kyeong-Keun Choi , Youn-Jang Kim , Su Kon Kim , Jae Kyoung Mun
This study investigates the long-term thermal stability (4 h at 300 °C) of active contacts in high electron mobility transistor (HEMT) devices with and without 10 nm-target thickness chemical vapor deposition (CVD) carbon (C) layers, utilizing in-situ resistance measurements. The thermal stability of the HEMT devices was investigated over the temperature range of 150–300 °C, employing sputtered 30 nm Ti/150 nm Al/30 nm Ti/30 nm TiN (top) with Ohmic metal structures. The results indicate that the HEMT devices with the about 10 nm-thick CVD C layer exhibit superior long-term thermal stability compared to those without the CVD C layer, maintaining Ohmic contact behavior throughout the duration of the test. The increase in contact resistance without C films was 2 %, whereas with the C films, it was only 0.5 % after the 4 h-long thermal stability test at 300 °C.
本研究利用原位电阻测量法研究了高电子迁移率晶体管(HEMT)器件中有源触点的长期热稳定性(300 °C下4小时),包括有无目标厚度为10 nm的化学气相沉积(CVD)碳(C)层。利用带有欧姆金属结构的溅射 30 nm Ti/150 nm Al/30 nm Ti/30 nm TiN(顶部),研究了 HEMT 器件在 150-300 °C 温度范围内的热稳定性。结果表明,与没有 CVD C 层的器件相比,带有约 10 nm 厚 CVD C 层的 HEMT 器件具有更出色的长期热稳定性,在整个测试期间都能保持欧姆接触行为。在 300 °C 下进行长达 4 小时的热稳定性测试后,无 C 膜的接触电阻增加了 2%,而有 C 膜的接触电阻仅增加了 0.5%。
{"title":"Enhancing the thermal stability of active contacts in AlGaN/GaN high electron mobility transistors with chemical vapor deposited carbon (C) films","authors":"Kyeong-Keun Choi , Youn-Jang Kim , Su Kon Kim , Jae Kyoung Mun","doi":"10.1016/j.cap.2024.07.008","DOIUrl":"10.1016/j.cap.2024.07.008","url":null,"abstract":"<div><p>This study investigates the long-term thermal stability (4 h at 300 °C) of active contacts in high electron mobility transistor (HEMT) devices with and without 10 nm-target thickness chemical vapor deposition (CVD) carbon (C) layers, utilizing in-situ resistance measurements. The thermal stability of the HEMT devices was investigated over the temperature range of 150–300 °C, employing sputtered 30 nm Ti/150 nm Al/30 nm Ti/30 nm TiN (top) with Ohmic metal structures. The results indicate that the HEMT devices with the about 10 nm-thick CVD C layer exhibit superior long-term thermal stability compared to those without the CVD C layer, maintaining Ohmic contact behavior throughout the duration of the test. The increase in contact resistance without C films was 2 %, whereas with the C films, it was only 0.5 % after the 4 h-long thermal stability test at 300 °C.</p></div>","PeriodicalId":11037,"journal":{"name":"Current Applied Physics","volume":"67 ","pages":"Pages 69-74"},"PeriodicalIF":2.4,"publicationDate":"2024-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141842232","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-26DOI: 10.1016/j.cap.2024.07.014
Hojun Lee, Hyun-Woo Lee
The spin-orbit correlation in ferromagnet (FM) is an important factor that affects the orbital torque efficiency in the FM. We investigate the spin-orbit correlation in FM alloys, and , with varying their composition. We find spots where the spin-orbit correlation is significantly strong near the Fermi surface in , , , and , while no such spot appears in , and . These results imply that in the former structures, the orbital polarized current injected into these spots can provide a strong torque to the magnetization of the FM through the orbital torque mechanism. These results also show that even in the same alloy system, the difference in alloy composition can lead to different orbital torque efficiency.
{"title":"Composition dependence of the orbital torque in CoxFe1−x and NixFe1−x alloys: Spin-orbit correlation analysis","authors":"Hojun Lee, Hyun-Woo Lee","doi":"10.1016/j.cap.2024.07.014","DOIUrl":"10.1016/j.cap.2024.07.014","url":null,"abstract":"<div><p>The spin-orbit correlation in ferromagnet (FM) is an important factor that affects the orbital torque efficiency in the FM. We investigate the spin-orbit correlation in FM alloys, <span><math><msub><mrow><mtext>Co</mtext></mrow><mrow><mi>x</mi></mrow></msub><msub><mrow><mtext>Fe</mtext></mrow><mrow><mn>1</mn><mo>−</mo><mi>x</mi></mrow></msub></math></span> and <span><math><msub><mrow><mtext>Ni</mtext></mrow><mrow><mi>x</mi></mrow></msub><msub><mrow><mtext>Fe</mtext></mrow><mrow><mn>1</mn><mo>−</mo><mi>x</mi></mrow></msub></math></span>, with varying their composition. We find spots where the spin-orbit correlation is significantly strong near the Fermi surface in <span><math><msub><mrow><mtext>Co</mtext></mrow><mrow><mn>0.125</mn></mrow></msub><msub><mrow><mtext>Fe</mtext></mrow><mrow><mn>0.875</mn></mrow></msub></math></span>, <span><math><msub><mrow><mtext>Co</mtext></mrow><mrow><mn>0.25</mn></mrow></msub><msub><mrow><mtext>Fe</mtext></mrow><mrow><mn>0.75</mn></mrow></msub></math></span>, <span><math><msub><mrow><mtext>Co</mtext></mrow><mrow><mn>0.875</mn></mrow></msub><msub><mrow><mtext>Fe</mtext></mrow><mrow><mn>0.125</mn></mrow></msub></math></span>, and <span><math><msub><mrow><mtext>Ni</mtext></mrow><mrow><mn>0.5</mn></mrow></msub><msub><mrow><mtext>Fe</mtext></mrow><mrow><mn>0.5</mn></mrow></msub></math></span>, while no such spot appears in <span><math><msub><mrow><mtext>Co</mtext></mrow><mrow><mn>0.5</mn></mrow></msub><msub><mrow><mtext>Fe</mtext></mrow><mrow><mn>0.5</mn></mrow></msub></math></span>, and <span><math><msub><mrow><mtext>Ni</mtext></mrow><mrow><mn>0.75</mn></mrow></msub><msub><mrow><mtext>Fe</mtext></mrow><mrow><mn>0.25</mn></mrow></msub></math></span>. These results imply that in the former structures, the orbital polarized current injected into these spots can provide a strong torque to the magnetization of the FM through the orbital torque mechanism. These results also show that even in the same alloy system, the difference in alloy composition can lead to different orbital torque efficiency.</p></div>","PeriodicalId":11037,"journal":{"name":"Current Applied Physics","volume":"67 ","pages":"Pages 60-68"},"PeriodicalIF":2.4,"publicationDate":"2024-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141845901","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-26DOI: 10.1016/j.cap.2024.07.012
Rafi Ur Rahman , Muhammad Quddamah Khokhar , Hasnain Yousuf , Maha Nur Aida , Jaljalalul Abedin Jony , Alamgeer , Polgampola Chamani Madara , Mengmeng Chu , Sangheon Park , Junsin Yi
In advancing photovoltaic technology, optimizing the metallization process is crucial for balancing electrical conductivity and optical performance in solar cell fabrication. This process directly impacts the efficiency and quality of solar cells, traditionally measured by the fill factor (FF). Historically, efforts have focused on evolving metal contacts to reduce optical shading and series resistance, which degrade solar cell efficiency. Our study enhances n-type Tunnel Oxide Passivated Contact (n-TOPCon) solar cells by optimizing screen-printing metallization, particularly by examining the effects of squeegee speeds. Employing a mix of experimental and analytical methodologies, we aimed to identify optimal conditions that improve electrical and optical performance, thereby elevating cell efficiency. Our findings indicate that a squeegee speed of 170 mm/s substantially boosts solar cell performance, evidenced by a current density (Jsc) of 38.96 mA/cm2, open-circuit voltage (Voc) of 684.29 mV, fill factor (FF) of 78.77 %, and a power conversion efficiency (PCE) of 21.00 %. Further, dark I–V measurements confirmed a shunt resistance (Rsh) of 6.25 × 106 Ω and a reduced series resistance (Rs) of 6.48 Ω, underscoring the significance of precise metallization in reducing resistive losses and enhancing efficiency. Future research will explore innovative materials and cutting-edge printing techniques beyond squeegee speed adjustments. The potential incorporation of nanomaterials and conducting polymers aims to refine the metallization process further, promising to push the boundaries of efficiency and cost-effectiveness. This progression is essential for advancing n-TOPCon solar cell development, setting new industry standards, and propelling the sustainable energy movement.
{"title":"Optimization strategies for metallization in n-type crystalline silicon TOPCon solar cells: Pathways to elevated fill factor and enhanced efficiency","authors":"Rafi Ur Rahman , Muhammad Quddamah Khokhar , Hasnain Yousuf , Maha Nur Aida , Jaljalalul Abedin Jony , Alamgeer , Polgampola Chamani Madara , Mengmeng Chu , Sangheon Park , Junsin Yi","doi":"10.1016/j.cap.2024.07.012","DOIUrl":"10.1016/j.cap.2024.07.012","url":null,"abstract":"<div><p>In advancing photovoltaic technology, optimizing the metallization process is crucial for balancing electrical conductivity and optical performance in solar cell fabrication. This process directly impacts the efficiency and quality of solar cells, traditionally measured by the fill factor (<em>FF</em>). Historically, efforts have focused on evolving metal contacts to reduce optical shading and series resistance, which degrade solar cell efficiency. Our study enhances n-type Tunnel Oxide Passivated Contact (<em>n-TOPCon</em>) solar cells by optimizing screen-printing metallization, particularly by examining the effects of squeegee speeds. Employing a mix of experimental and analytical methodologies, we aimed to identify optimal conditions that improve electrical and optical performance, thereby elevating cell efficiency. Our findings indicate that a squeegee speed of 170 mm/s substantially boosts solar cell performance, evidenced by a current density (J<sub>sc</sub>) of 38.96 mA/cm<sup>2</sup>, open-circuit voltage (<em>V</em><sub><em>oc</em></sub>) of 684.29 mV, fill factor (<em>FF</em>) of 78.77 %, and a power conversion efficiency (<em>PCE</em>) of 21.00 %. Further, dark I–V measurements confirmed a shunt resistance (<em>R</em><sub><em>sh</em></sub>) of 6.25 × 10<sup>6</sup> Ω and a reduced series resistance (<em>R</em><sub><em>s</em></sub>) of 6.48 Ω, underscoring the significance of precise metallization in reducing resistive losses and enhancing efficiency. Future research will explore innovative materials and cutting-edge printing techniques beyond squeegee speed adjustments. The potential incorporation of nanomaterials and conducting polymers aims to refine the metallization process further, promising to push the boundaries of efficiency and cost-effectiveness. This progression is essential for advancing n-TOPCon solar cell development, setting new industry standards, and propelling the sustainable energy movement.</p></div>","PeriodicalId":11037,"journal":{"name":"Current Applied Physics","volume":"67 ","pages":"Pages 107-114"},"PeriodicalIF":2.4,"publicationDate":"2024-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141852233","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-26DOI: 10.1016/j.cap.2024.07.015
Oyoo Michael Juma , Luke Oduor Otieno , Thi Thu Nguyen, Thi Ngoc Nguyen, Yong Joong Lee
Dual-stage scanners can successfully increase the range of atomic force microscope (AFM) scanners in space and/or frequency by designing and constructing two nanopositioners with significant differences in static and dynamic characteristics. In such cases, the positioning signal has to be split to meet the displacement and frequency limitations of each stage. Without closed-loop displacement measurement sensors, linearizing images acquired using signals split in time and frequency can be challenging. A common method, often cumbersome and time consuming, uses inverse model-based feedforward compensation. In this work, we show that image-based linearization can be used to achieve acceptable results for raster scans acquired using dual-stage scanners. In particular, we apply the feedforward and image-based methods to our homemade dual-stage lateral scanner and high-speed AFM (HS-AFM) system. The acquired scans compare well for the two methods, indicating that image-based raster scan linearization can be used in place of inverse model-based feedforward approaches.
{"title":"Linearizing AFM raster scans acquired using dual-stage lateral scanners","authors":"Oyoo Michael Juma , Luke Oduor Otieno , Thi Thu Nguyen, Thi Ngoc Nguyen, Yong Joong Lee","doi":"10.1016/j.cap.2024.07.015","DOIUrl":"10.1016/j.cap.2024.07.015","url":null,"abstract":"<div><p>Dual-stage scanners can successfully increase the range of atomic force microscope (AFM) scanners in space and/or frequency by designing and constructing two nanopositioners with significant differences in static and dynamic characteristics. In such cases, the positioning signal has to be split to meet the displacement and frequency limitations of each stage. Without closed-loop displacement measurement sensors, linearizing images acquired using signals split in time and frequency can be challenging. A common method, often cumbersome and time consuming, uses inverse model-based feedforward compensation. In this work, we show that image-based linearization can be used to achieve acceptable results for raster scans acquired using dual-stage scanners. In particular, we apply the feedforward and image-based methods to our homemade dual-stage lateral scanner and high-speed AFM (HS-AFM) system. The acquired scans compare well for the two methods, indicating that image-based raster scan linearization can be used in place of inverse model-based feedforward approaches.</p></div>","PeriodicalId":11037,"journal":{"name":"Current Applied Physics","volume":"67 ","pages":"Pages 46-53"},"PeriodicalIF":2.4,"publicationDate":"2024-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141838736","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-23DOI: 10.1016/j.cap.2024.07.010
Ha Heun Lee , Minji Bak , Hyo Gyeong Kim , Eunji Lim , Sunwoo Kim , Woohyun Cho , Shibo Xi , Heejun Yang , Woo-Jae Kim , Suyeon Cho
Silver telluride, Ag2Te, was synthesized on various 2D templates of carbon nanotubes (CNT) and transition-metal dichalcogenides (WTe2 and VTe2) via hydrothermal synthesis. X-ray diffraction (XRD) and Raman spectroscopy revealed that Ag2Te was synthesized on the 2D templates under optimal synthesis conditions. Differential scanning calorimetry (DSC) confirmed that the structural phase transition of Ag2Te underwent endothermic and exothermic reactions at approximately 410 and 425 K, respectively. Among various metallic templates, a large amount of Ag2Te has been synthesized on strongly acidic CNT. X-ray absorption near-edge structure (XANES) revealed that the chemical state of the metallic support influenced the electronic structure of the as-grown Ag2Te on the metallic supports. Our findings demonstrated that the hybrid 2D catalysts with an appropriate 2D metallic template can be a promising strategy for achieving efficient catalysis.
{"title":"Hydrothermally synthesized Ag2Te on metallic 2D templates","authors":"Ha Heun Lee , Minji Bak , Hyo Gyeong Kim , Eunji Lim , Sunwoo Kim , Woohyun Cho , Shibo Xi , Heejun Yang , Woo-Jae Kim , Suyeon Cho","doi":"10.1016/j.cap.2024.07.010","DOIUrl":"10.1016/j.cap.2024.07.010","url":null,"abstract":"<div><p>Silver telluride, Ag<sub>2</sub>Te, was synthesized on various 2D templates of carbon nanotubes (CNT) and transition-metal dichalcogenides (WTe<sub>2</sub> and VTe<sub>2</sub>) via hydrothermal synthesis. X-ray diffraction (XRD) and Raman spectroscopy revealed that Ag<sub>2</sub>Te was synthesized on the 2D templates under optimal synthesis conditions. Differential scanning calorimetry (DSC) confirmed that the structural phase transition of Ag<sub>2</sub>Te underwent endothermic and exothermic reactions at approximately 410 and 425 K, respectively. Among various metallic templates, a large amount of Ag<sub>2</sub>Te has been synthesized on strongly acidic CNT. X-ray absorption near-edge structure (XANES) revealed that the chemical state of the metallic support influenced the electronic structure of the as-grown Ag<sub>2</sub>Te on the metallic supports. Our findings demonstrated that the hybrid 2D catalysts with an appropriate 2D metallic template can be a promising strategy for achieving efficient catalysis.</p></div>","PeriodicalId":11037,"journal":{"name":"Current Applied Physics","volume":"67 ","pages":"Pages 54-59"},"PeriodicalIF":2.4,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141776719","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-23DOI: 10.1016/j.cap.2024.07.011
Gyeongpil Jo , Minsoo Kim , Jinmin Lee , Sang Hak Lee , Jejoong Yoo
Functionalized graphene and carbon nanotubes (CNTs) are widely recognized for their exceptional physical properties, which make them highly suitable for various applications. Although molecular dynamics (MD) simulations are essential for investigating the atomic-level interactions and transport phenomena in functionalized graphene and CNT systems, setting up these simulations remains complex and time-consuming. To streamline this process, we have developed a novel web application that automates the generation of MD simulation setups of functionalized graphene and CNT systems compatible with AMBER force fields and the Gromacs software. Key features include the creation of nanopores, functionalization with hydrogen, hydroxyl, and/or carboxylate groups, and the application of periodic boundary conditions to effectively simulate infinite structures. To facilitate the MD analysis of transport phenomena through nanopores, our web application offers an automated analysis tool that generates and visualizes three-dimensional local flux fields from MD trajectories. Overall, our web applications significantly enhance the accessibility and efficiency of MD simulations of functionalized graphene systems, particularly for nanopore applications. Our web applications are freely available at https://yoo.skku.edu/apps.
{"title":"Web-based applications for automated generation of functionalized graphene and carbon nanotube for molecular dynamics simulations and automated three-dimensional analysis of ion flow through nanopores","authors":"Gyeongpil Jo , Minsoo Kim , Jinmin Lee , Sang Hak Lee , Jejoong Yoo","doi":"10.1016/j.cap.2024.07.011","DOIUrl":"10.1016/j.cap.2024.07.011","url":null,"abstract":"<div><p>Functionalized graphene and carbon nanotubes (CNTs) are widely recognized for their exceptional physical properties, which make them highly suitable for various applications. Although molecular dynamics (MD) simulations are essential for investigating the atomic-level interactions and transport phenomena in functionalized graphene and CNT systems, setting up these simulations remains complex and time-consuming. To streamline this process, we have developed a novel web application that automates the generation of MD simulation setups of functionalized graphene and CNT systems compatible with AMBER force fields and the Gromacs software. Key features include the creation of nanopores, functionalization with hydrogen, hydroxyl, and/or carboxylate groups, and the application of periodic boundary conditions to effectively simulate infinite structures. To facilitate the MD analysis of transport phenomena through nanopores, our web application offers an automated analysis tool that generates and visualizes three-dimensional local flux fields from MD trajectories. Overall, our web applications significantly enhance the accessibility and efficiency of MD simulations of functionalized graphene systems, particularly for nanopore applications. Our web applications are freely available at <span><span>https://yoo.skku.edu/apps</span><svg><path></path></svg></span>.</p></div>","PeriodicalId":11037,"journal":{"name":"Current Applied Physics","volume":"67 ","pages":"Pages 30-37"},"PeriodicalIF":2.4,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141776777","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-23DOI: 10.1016/j.cap.2024.07.013
Jie Su , Suxia Liang , Zhiguo Zhao , Tianyu Yu , Sheng Zou , Yunlei Jiang , Cang Liang , Mi Zhang , Wangfan Chen , Lei Shi , Yukun Guo , YongGang Yu , Yuan Dong
Choosing FA+/MA+ mixed-ion perovskite material as the active layer of the perovskite solar cells hold out the prospect of high efficiency and high stability. In this paper, the FA+/MA + ratio is modified to optimize the performance of FAxMA1-xPbI3-based perovskite solar cells utilizing SCAPS-1D. The results indicate that the PCE of the devices reached a minimum of 21 % when x is greater than or equal to 0.6 in FAxMA1-xPbI3(FTO/NiOx/FAxMA1-xPbI3/C60/BCP/Al). When x = 0.6, the impact of the bottom interface defects on the solar cell performance is dominant and the thickness of the active layer should be controlled within a range of 0.4 μm–0.8 μm, while the defect density of the layer is expected to be between 1013 1/cm3 and 1014 1/cm3. By optimizing the perovskite layer thickness, defect density and changing the type of back electrode material, the efficiency is reaching 25.74 % based on the device(FTO/NiOx/FA6MA4PbI3/C60/BCP/Au). This study provides theoretical guidance for experimental research on interface modification, defect passivation and manufacturing of high-efficiency FAxMA1-xPbI3-based perovskite solar cells.
{"title":"Components and defect density optimization of FAxMA1-xPbI3 based on simulation for high performance perovskite solar cells","authors":"Jie Su , Suxia Liang , Zhiguo Zhao , Tianyu Yu , Sheng Zou , Yunlei Jiang , Cang Liang , Mi Zhang , Wangfan Chen , Lei Shi , Yukun Guo , YongGang Yu , Yuan Dong","doi":"10.1016/j.cap.2024.07.013","DOIUrl":"10.1016/j.cap.2024.07.013","url":null,"abstract":"<div><p>Choosing FA<sup>+</sup>/MA<sup>+</sup> mixed-ion perovskite material as the active layer of the perovskite solar cells hold out the prospect of high efficiency and high stability. In this paper, the FA<sup>+</sup>/MA <sup>+</sup> ratio is modified to optimize the performance of FA<sub>x</sub>MA<sub>1-x</sub>PbI<sub>3</sub>-based perovskite solar cells utilizing SCAPS-1D. The results indicate that the PCE of the devices reached a minimum of 21 % when x is greater than or equal to 0.6 in FA<sub>x</sub>MA<sub>1-x</sub>PbI<sub>3</sub>(FTO/NiO<sub>x</sub>/FA<sub>x</sub>MA<sub>1-x</sub>PbI<sub>3</sub>/C<sub>60</sub>/BCP/Al). When x = 0.6, the impact of the bottom interface defects on the solar cell performance is dominant and the thickness of the active layer should be controlled within a range of 0.4 μm–0.8 μm, while the defect density of the layer is expected to be between 10<sup>13</sup> 1/cm<sup>3</sup> and 10<sup>14</sup> 1/cm<sup>3</sup>. By optimizing the perovskite layer thickness, defect density and changing the type of back electrode material, the efficiency is reaching 25.74 % based on the device(FTO/NiO<sub>x</sub>/FA<sub>6</sub>MA<sub>4</sub>PbI<sub>3</sub>/C<sub>60</sub>/BCP/Au). This study provides theoretical guidance for experimental research on interface modification, defect passivation and manufacturing of high-efficiency FA<sub>x</sub>MA<sub>1-x</sub>PbI<sub>3</sub>-based perovskite solar cells.</p></div>","PeriodicalId":11037,"journal":{"name":"Current Applied Physics","volume":"67 ","pages":"Pages 38-45"},"PeriodicalIF":2.4,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141776720","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-19DOI: 10.1016/j.cap.2024.07.009
Amugul Esbergenova , Mirabbos Hojamberdiev , Zukhra C. Kadirova , Yuichi Sugai , Shavkat Mamatkulov , Rivojiddin Jalolov , Debin Kong , Xin Qin , Shahlo S. Daminova , Olim Ruzimuradov , Ulugbek Shaislamov
Doping is one of the effective strategies to modulate the optoelectronic properties and photocatalytic activity of photocatalysts. In this study, the effect of Fe doping (0–10 %) on morphology, optical and electronic properties, and photocatalytic activity of ZnO nanostructures is studied. The X-ray diffraction analysis shows that >5 % Fe doping, ZnFe2O4 is segregated as a secondary phase. The crystalline size decreases from 50.8 nm to 21.4 nm and the micro-strain increases with increasing the Fe concentration. The Fe doping-induced electronic restructuring facilitates visible light absorption through the O 2p → Fe 3d transition and the suppression of charge recombination by efficiently trapping conduction band electrons. Density functional theory (DFT) calculations are employed to unravel the underlying electronic changes induced by Fe doping in ZnO. The formation of shallow donor levels below the conduction band originates from the Fe 3d state. Photoluminescence spectra of pristine and Fe-doped ZnO nanostructures show characteristic emission peaks at approximately 384 nm and 570 nm, indicating the recombination of free excitons and oxygen interstitial defects, respectively. The results of the photocatalytic activity tests confirm that the 1 % Fe-doped ZnO nanostructures can exhibit the highest efficiency compared to the heavily doped ZnO nanostructures. The high efficiency in photocatalytic activity of 1 % Fe-doped ZnO nanostructures is ascribed to the modulated electronic structure and defect density. The adsorption affinity of methylene blue and water molecules to the surfaces of pristine and Fe-doped ZnO is simulated using the Monte-Carlo method. This study emphasizes the importance of controlling the dopant concentration to enhance the photocatalytic activity of various photocatalysts.
掺杂是调节光催化剂光电特性和光催化活性的有效策略之一。本研究探讨了铁掺杂(0-10%)对氧化锌纳米结构的形貌、光电性质和光催化活性的影响。X 射线衍射分析表明,铁掺杂 >5 % 时,ZnFeO 分离为第二相。晶体尺寸从 50.8 nm 减小到 21.4 nm,微应变随着铁浓度的增加而增大。铁掺杂引起的电子结构调整通过 O 2p → Fe 3d 转变促进了可见光吸收,并通过有效捕获传导带电子抑制了电荷重组。我们利用密度泛函理论(DFT)计算来揭示氧化锌中掺杂铁所引起的基本电子变化。导带以下浅供体水平的形成源于铁 3d 态。原始和掺杂铁的氧化锌纳米结构的光致发光光谱在大约 384 纳米和 570 纳米处显示出特征性的发射峰,分别表明自由激子和氧间隙缺陷的重组。光催化活性测试结果证实,与大量掺杂的氧化锌纳米结构相比,掺杂 1% Fe 的氧化锌纳米结构的光催化活性效率最高。掺杂 1% Fe 的氧化锌纳米结构的高效光催化活性归因于其电子结构和缺陷密度的调节。利用蒙特卡洛方法模拟了亚甲基蓝和水分子对原始氧化锌和掺铁氧化锌表面的吸附亲和力。这项研究强调了控制掺杂剂浓度对提高各种光催化剂光催化活性的重要性。
{"title":"Interlinking the Fe doping concentration, optoelectronic properties, and photocatalytic performance of ZnO nanostructures","authors":"Amugul Esbergenova , Mirabbos Hojamberdiev , Zukhra C. Kadirova , Yuichi Sugai , Shavkat Mamatkulov , Rivojiddin Jalolov , Debin Kong , Xin Qin , Shahlo S. Daminova , Olim Ruzimuradov , Ulugbek Shaislamov","doi":"10.1016/j.cap.2024.07.009","DOIUrl":"10.1016/j.cap.2024.07.009","url":null,"abstract":"<div><p>Doping is one of the effective strategies to modulate the optoelectronic properties and photocatalytic activity of photocatalysts. In this study, the effect of Fe doping (0–10 %) on morphology, optical and electronic properties, and photocatalytic activity of ZnO nanostructures is studied. The X-ray diffraction analysis shows that >5 % Fe doping, ZnFe<sub>2</sub>O<sub>4</sub> is segregated as a secondary phase. The crystalline size decreases from 50.8 nm to 21.4 nm and the micro-strain increases with increasing the Fe concentration. The Fe doping-induced electronic restructuring facilitates visible light absorption through the O 2p → Fe 3d transition and the suppression of charge recombination by efficiently trapping conduction band electrons. Density functional theory (DFT) calculations are employed to unravel the underlying electronic changes induced by Fe doping in ZnO. The formation of shallow donor levels below the conduction band originates from the Fe 3d state. Photoluminescence spectra of pristine and Fe-doped ZnO nanostructures show characteristic emission peaks at approximately 384 nm and 570 nm, indicating the recombination of free excitons and oxygen interstitial defects, respectively. The results of the photocatalytic activity tests confirm that the 1 % Fe-doped ZnO nanostructures can exhibit the highest efficiency compared to the heavily doped ZnO nanostructures. The high efficiency in photocatalytic activity of 1 % Fe-doped ZnO nanostructures is ascribed to the modulated electronic structure and defect density. The adsorption affinity of methylene blue and water molecules to the surfaces of pristine and Fe-doped ZnO is simulated using the Monte-Carlo method. This study emphasizes the importance of controlling the dopant concentration to enhance the photocatalytic activity of various photocatalysts.</p></div>","PeriodicalId":11037,"journal":{"name":"Current Applied Physics","volume":"67 ","pages":"Pages 18-29"},"PeriodicalIF":2.4,"publicationDate":"2024-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141776778","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-14DOI: 10.1016/j.cap.2024.07.005
Joonhee Kang , Byung-Hyun Kim , Min Ho Seo , Jehyun Lee
The density functional theory (DFT) data-driven approach to generating potential energy surfaces using machine learning has been proven to quickly and accurately predict the molecular and crystal structures of various elements. However, training databases consisting of hundreds of well-known symmetric structures have shown fatal weaknesses in calculating amorphous or nano-scale structures. Ab-initio molecular dynamics (AIMD) simulations create a training set that compensates for these shortcomings, but there are still many rare event structures. Here we introduce a new method to easily enlarge the data diversity and dramatically reduce data points based on the highly defected nano structures for universal machine learned potential. Our potential applies to bulk and nano systems and has been shown to high accuracy and computational efficiency while requiring minimal DFT training data. The developed potential is expected to help observation of structural changes in the Pt-based nano-catalysts that have been difficult to simulate at the DFT-level.
{"title":"Sampling rare events using nanostructures for universal Pt neural network potential","authors":"Joonhee Kang , Byung-Hyun Kim , Min Ho Seo , Jehyun Lee","doi":"10.1016/j.cap.2024.07.005","DOIUrl":"https://doi.org/10.1016/j.cap.2024.07.005","url":null,"abstract":"<div><p>The density functional theory (DFT) data-driven approach to generating potential energy surfaces using machine learning has been proven to quickly and accurately predict the molecular and crystal structures of various elements. However, training databases consisting of hundreds of well-known symmetric structures have shown fatal weaknesses in calculating amorphous or nano-scale structures. Ab-initio molecular dynamics (AIMD) simulations create a training set that compensates for these shortcomings, but there are still many rare event structures. Here we introduce a new method to easily enlarge the data diversity and dramatically reduce data points based on the highly defected nano structures for universal machine learned potential. Our potential applies to bulk and nano systems and has been shown to high accuracy and computational efficiency while requiring minimal DFT training data. The developed potential is expected to help observation of structural changes in the Pt-based nano-catalysts that have been difficult to simulate at the DFT-level.</p></div>","PeriodicalId":11037,"journal":{"name":"Current Applied Physics","volume":"66 ","pages":"Pages 110-114"},"PeriodicalIF":2.4,"publicationDate":"2024-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141606484","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-07-14DOI: 10.1016/j.cap.2024.07.007
Xiong Cheng, Joonho Bae
In recent years, electrochemical energy storage devices, including lithium batteries, supercapacitors, and fuel cells, have surged in development. They play indispensable roles across various domains and significantly enhance the quality of life. Electrochemical energy storage is vital to power systems, managing supply and demand dynamics, mitigating challenges such as intermittent energy fluctuations, and fostering the sustainable advancement of clean energy solutions. Among burgeoning research avenues, DNA is a green biological macromolecule with biodegradability and a unique double-helix structure, attracting attention across diverse fields. This review discusses the myriad applications of DNA in electrochemical energy storage devices and offers insights into novel approaches to leveraging DNA for electrochemical applications. Exploring these potential applications of DNA may unlock innovative pathways to enhancing the efficiency, sustainability, and versatility of electrochemical energy storage technologies. As these efforts continue, DNA promises to transform the ongoing quest for robust and eco-friendly energy solutions.
近年来,包括锂电池、超级电容器和燃料电池在内的电化学储能设备发展迅猛。它们在各个领域发挥着不可或缺的作用,极大地提高了人们的生活质量。电化学储能对电力系统至关重要,它可以管理供需动态,缓解间歇性能源波动等挑战,并促进清洁能源解决方案的可持续发展。在蓬勃发展的研究领域中,DNA 是一种绿色生物大分子,具有生物可降解性和独特的双螺旋结构,吸引着各个领域的关注。本综述讨论了 DNA 在电化学储能装置中的众多应用,并深入探讨了利用 DNA 进行电化学应用的新方法。探索 DNA 的这些潜在应用可能会开启创新之路,提高电化学储能技术的效率、可持续性和多功能性。随着这些努力的继续,DNA 有望改变人们对稳健和生态友好型能源解决方案的持续追求。
{"title":"Next-generation DNA-enhanced electrochemical energy storage: Recent advances and perspectives","authors":"Xiong Cheng, Joonho Bae","doi":"10.1016/j.cap.2024.07.007","DOIUrl":"10.1016/j.cap.2024.07.007","url":null,"abstract":"<div><p>In recent years, electrochemical energy storage devices, including lithium batteries, supercapacitors, and fuel cells, have surged in development. They play indispensable roles across various domains and significantly enhance the quality of life. Electrochemical energy storage is vital to power systems, managing supply and demand dynamics, mitigating challenges such as intermittent energy fluctuations, and fostering the sustainable advancement of clean energy solutions. Among burgeoning research avenues, DNA is a green biological macromolecule with biodegradability and a unique double-helix structure, attracting attention across diverse fields. This review discusses the myriad applications of DNA in electrochemical energy storage devices and offers insights into novel approaches to leveraging DNA for electrochemical applications. Exploring these potential applications of DNA may unlock innovative pathways to enhancing the efficiency, sustainability, and versatility of electrochemical energy storage technologies. As these efforts continue, DNA promises to transform the ongoing quest for robust and eco-friendly energy solutions.</p></div>","PeriodicalId":11037,"journal":{"name":"Current Applied Physics","volume":"67 ","pages":"Pages 1-17"},"PeriodicalIF":2.4,"publicationDate":"2024-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141637997","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}