Materials Science in Semiconductor Processing最新文献_第7页

Design and analysis of poly-cotton material based star-shaped wide band textile antenna for GSM, 5G, WBAN, and satellite communication applications GSM、5G、WBAN及卫星通信应用中基于多棉材料的星形宽带纺织天线设计与分析

IF 4.6 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2025-12-18 DOI: 10.1016/j.mssp.2025.110340

G. Obulesu , Abdulkarem H.M. Almawgani , Ch Raghavendra , AdamR.H. Alhawari , Yalavarthi Usha Devi , B.T.P. Madhav

This work reports on the design and analysis of a star-shaped, wideband textile antenna utilizing a poly-cotton substrate and conductive fabric, integrated with a coplanar waveguide feed (PCSWTA). The antenna is constructed using a substrate of size 70 × 80 × 0.7 mm³ and operates over a broad frequency spectrum, ranging from 1.35 GHz to 10.8 GHz, achieving an impedance bandwidth of 9.5 GHz and a maximum gain of 4.8 dBi. The proposed antenna supports multiple wireless communication standards, including GSM, 5G (n77, n78, n79), WiMAX, satellite, and Wireless Body Area Network (WBAN) applications. To assess its suitability for wearable scenarios, the operational characteristics of the antenna were analyzed by mounting it on human hand and leg phantom models employing CST Microwave Studio. The measured specific absorption rate (SAR) values on the hand model were 0.118, 0.328, 0.655, and 0.804 W/kg, and on the leg model were 0.173, 0.496, 0.686, and 0.833 W/kg at frequencies of 1.9, 2.4, 3.5, and 9 GHz, respectively, remaining within the safe exposure limits. Furthermore, the antenna's radiation characteristics under mechanical deformation were investigated, where bending along both the x- and y-axes demonstrated minimal variation in the radiation pattern, confirming its mechanical robustness. Experimental measurements of gain, efficiency, and radiation patterns conducted in an anechoic chamber exhibited strong agreement with the simulated results, validating the antenna's effectiveness for wearable and off-body communication applications.

本研究报告了一种星形宽带纺织天线的设计和分析，该天线利用了一种聚棉衬底和导电织物，集成了共面波导馈电（PCSWTA）。该天线采用尺寸为70 × 80 × 0.7 mm3的衬底，工作在1.35 GHz至10.8 GHz的宽频谱范围内，阻抗带宽为9.5 GHz，最大增益为4.8 dBi。该天线支持多种无线通信标准，包括GSM、5G （n77、n78、n79）、WiMAX、卫星和无线体域网络（WBAN）应用。为了评估其可穿戴场景的适用性，采用CST Microwave Studio将天线安装在人体手部和腿部模型上，分析了天线的工作特性。在1.9、2.4、3.5和9 GHz频率下，手部模型的比吸收率（SAR）测量值分别为0.118、0.328、0.655和0.804 W/kg，腿部模型的比吸收率（SAR）测量值分别为0.173、0.496、0.686和0.833 W/kg，均在安全暴露限值内。此外，研究了天线在机械变形下的辐射特性，其中沿x轴和y轴弯曲的辐射方向图变化最小，证实了其机械稳健性。在消声室中进行的增益、效率和辐射模式的实验测量结果与模拟结果非常吻合，验证了天线在可穿戴和离体通信应用中的有效性。

{"title":"Design and analysis of poly-cotton material based star-shaped wide band textile antenna for GSM, 5G, WBAN, and satellite communication applications","authors":"G. Obulesu , Abdulkarem H.M. Almawgani , Ch Raghavendra , AdamR.H. Alhawari , Yalavarthi Usha Devi , B.T.P. Madhav","doi":"10.1016/j.mssp.2025.110340","DOIUrl":"10.1016/j.mssp.2025.110340","url":null,"abstract":"<div><div>This work reports on the design and analysis of a star-shaped, wideband textile antenna utilizing a poly-cotton substrate and conductive fabric, integrated with a coplanar waveguide feed (PCSWTA). The antenna is constructed using a substrate of size 70 × 80 × 0.7 mm<sup>3</sup> and operates over a broad frequency spectrum, ranging from 1.35 GHz to 10.8 GHz, achieving an impedance bandwidth of 9.5 GHz and a maximum gain of 4.8 dBi. The proposed antenna supports multiple wireless communication standards, including GSM, 5G (n77, n78, n79), WiMAX, satellite, and Wireless Body Area Network (WBAN) applications. To assess its suitability for wearable scenarios, the operational characteristics of the antenna were analyzed by mounting it on human hand and leg phantom models employing CST Microwave Studio. The measured specific absorption rate (SAR) values on the hand model were 0.118, 0.328, 0.655, and 0.804 W/kg, and on the leg model were 0.173, 0.496, 0.686, and 0.833 W/kg at frequencies of 1.9, 2.4, 3.5, and 9 GHz, respectively, remaining within the safe exposure limits. Furthermore, the antenna's radiation characteristics under mechanical deformation were investigated, where bending along both the x- and y-axes demonstrated minimal variation in the radiation pattern, confirming its mechanical robustness. Experimental measurements of gain, efficiency, and radiation patterns conducted in an anechoic chamber exhibited strong agreement with the simulated results, validating the antenna's effectiveness for wearable and off-body communication applications.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"205 ","pages":"Article 110340"},"PeriodicalIF":4.6,"publicationDate":"2025-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145798281","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Radiation effects and hardening strategies of GaN HEMT power devices 氮化镓HEMT功率器件的辐射效应及硬化策略

IF 4.6 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2025-12-18 DOI: 10.1016/j.mssp.2025.110351

Xinpei Duan , Yiwu Qiu , Xitong Hong , Ling Lv , Tao Wang , Jiawei Chen , Lei Dong , Qianlei Tian , Pei Yang , Lili Zhang , Tong Bu , Yanan Yin , Xinjie Zhou , Chang Liu

Gallium nitride (GaN) high-electron-mobility transistors (HEMTs) exhibit superior inherent radiation tolerance compared to silicon-based devices, owing to their wide bandgap and robust atomic structure. These properties position GaN HEMTs as promising candidates for aerospace, nuclear, and defense applications. Although lateral GaN HEMTs have demonstrated switching capabilities up to 1200 V, their susceptibility to single-event burnout (SEB) under high-voltage operations in radiation-rich environments remains a critical challenge. This review comprehensively analyzes radiation effects, including total ionizing dose (TID), displacement damage (DD), and single-event effects (SEEs) on GaN HEMT power devices, with a critical comparison of the radiation response between Cascode and P-GaN gate structures. Furthermore, this review systematically categorizes and evaluates various radiation hardening strategies, emphasizing process-hardened techniques for single-event burnout, such as field plates, shielding materials, and specialized device structures. Finally, key research gaps are identified, and future directions for the development of radiation-hardened GaN technology are proposed.

氮化镓（GaN）高电子迁移率晶体管（hemt）由于其宽带隙和坚固的原子结构，与硅基器件相比，具有优越的固有辐射耐受性。这些特性使GaN hemt成为航空航天、核和国防应用的有前途的候选者。尽管横向GaN hemt已经证明了高达1200 V的开关能力，但在高辐射环境下的高压操作下，它们对单事件烧坏（SEB）的易感性仍然是一个关键挑战。本文全面分析了辐射效应，包括总电离剂量（TID）、位移损伤（DD）和单事件效应（SEEs）对GaN HEMT功率器件的影响，并对Cascode和P-GaN栅极结构的辐射响应进行了关键比较。此外，本文系统地对各种辐射硬化策略进行了分类和评估，强调了单事件烧坏的工艺硬化技术，如场板、屏蔽材料和专门的设备结构。最后，指出了关键的研究空白，并提出了抗辐射GaN技术的未来发展方向。

{"title":"Radiation effects and hardening strategies of GaN HEMT power devices","authors":"Xinpei Duan , Yiwu Qiu , Xitong Hong , Ling Lv , Tao Wang , Jiawei Chen , Lei Dong , Qianlei Tian , Pei Yang , Lili Zhang , Tong Bu , Yanan Yin , Xinjie Zhou , Chang Liu","doi":"10.1016/j.mssp.2025.110351","DOIUrl":"10.1016/j.mssp.2025.110351","url":null,"abstract":"<div><div>Gallium nitride (GaN) high-electron-mobility transistors (HEMTs) exhibit superior inherent radiation tolerance compared to silicon-based devices, owing to their wide bandgap and robust atomic structure. These properties position GaN HEMTs as promising candidates for aerospace, nuclear, and defense applications. Although lateral GaN HEMTs have demonstrated switching capabilities up to 1200 V, their susceptibility to single-event burnout (SEB) under high-voltage operations in radiation-rich environments remains a critical challenge. This review comprehensively analyzes radiation effects, including total ionizing dose (TID), displacement damage (DD), and single-event effects (SEEs) on GaN HEMT power devices, with a critical comparison of the radiation response between Cascode and P-GaN gate structures. Furthermore, this review systematically categorizes and evaluates various radiation hardening strategies, emphasizing process-hardened techniques for single-event burnout, such as field plates, shielding materials, and specialized device structures. Finally, key research gaps are identified, and future directions for the development of radiation-hardened GaN technology are proposed.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"205 ","pages":"Article 110351"},"PeriodicalIF":4.6,"publicationDate":"2025-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145798348","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Enhanced performance of Cu2(CdxZn1-x)SnS4 thin film solar cells by optimizing Cd gradient distribution 优化Cd梯度分布提高Cu2(CdxZn1-x)SnS4薄膜太阳能电池性能

IF 4.6 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2025-12-17 DOI: 10.1016/j.mssp.2025.110365

Wei Wang, Fucheng Liang, Jiawen Wang, Yifan Guo, Ruiyang Qu, Shuya Zhou, Yifan Qiu, Luanhong Sun

There is a significant gap in conversion efficiency between Cu₂ZnSnS₄ thin-film solar cells and Cu(In,Ga)Se₂ thin-film solar cells, mainly due to severe charge recombination and poor carrier transport, and other factors. Cu₂(Cd_xZn_1-x)SnS₄ (CCZTS) thin films with different Cd gradients were prepared using the nanoparticle ink method to effectively relieving these issues. The effects of different Cd gradient distributions on performance of solar cells were investigated. The results show that the Cd gradient distributions are helpful to improve crystallinity of the thin films and short circuit current density (Jsc) of the solar cells. The power conversion efficiency (PCE) of the CCZTS thin film solar cell with positive Cd gradient is the best and reaches 5.61 %. The ink method for the preparation of absorber layer with elemental gradient requires simple equipment and low preparation cost, which provides a new way and idea for the preparation of high-efficiency photovoltaic devices.

Cu2ZnSnS4薄膜太阳能电池与Cu(in,Ga)Se2薄膜太阳能电池在转换效率上存在较大差距，主要原因是电荷复合严重、载流子输运差等因素。采用纳米颗粒墨水法制备不同Cd梯度的Cu2(CdxZn1-x)SnS4 （CCZTS）薄膜，有效地解决了上述问题。研究了不同镉梯度分布对太阳能电池性能的影响。结果表明，Cd梯度分布有利于提高薄膜的结晶度和太阳能电池的短路电流密度。具有正Cd梯度的CCZTS薄膜太阳能电池的功率转换效率（PCE）最高，达到5.61%。采用墨水法制备元素梯度吸收层，设备简单，制备成本低，为高效光伏器件的制备提供了新的途径和思路。

{"title":"Enhanced performance of Cu2(CdxZn1-x)SnS4 thin film solar cells by optimizing Cd gradient distribution","authors":"Wei Wang, Fucheng Liang, Jiawen Wang, Yifan Guo, Ruiyang Qu, Shuya Zhou, Yifan Qiu, Luanhong Sun","doi":"10.1016/j.mssp.2025.110365","DOIUrl":"10.1016/j.mssp.2025.110365","url":null,"abstract":"<div><div>There is a significant gap in conversion efficiency between Cu<sub>2</sub>ZnSnS<sub>4</sub> thin-film solar cells and Cu(In,Ga)Se<sub>2</sub> thin-film solar cells, mainly due to severe charge recombination and poor carrier transport, and other factors. Cu<sub>2</sub>(Cd<sub>x</sub>Zn<sub>1-x</sub>)SnS<sub>4</sub> (CCZTS) thin films with different Cd gradients were prepared using the nanoparticle ink method to effectively relieving these issues. The effects of different Cd gradient distributions on performance of solar cells were investigated. The results show that the Cd gradient distributions are helpful to improve crystallinity of the thin films and short circuit current density (Jsc) of the solar cells. The power conversion efficiency (PCE) of the CCZTS thin film solar cell with positive Cd gradient is the best and reaches 5.61 %. The ink method for the preparation of absorber layer with elemental gradient requires simple equipment and low preparation cost, which provides a new way and idea for the preparation of high-efficiency photovoltaic devices.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"205 ","pages":"Article 110365"},"PeriodicalIF":4.6,"publicationDate":"2025-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145798403","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Proton-induced defects in β-Ga2O3: A deep dive into electronic structure, carrier mobility, and thermal conductivity β-Ga2O3中质子诱导缺陷：深入研究电子结构、载流子迁移率和导热性

IF 4.6 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2025-12-16 DOI: 10.1016/j.mssp.2025.110347

Dan Han , Huitong Qin , Tongxiang Zhu , Hui Tu , Rongxing Cao , Yuxiong Xue

In recent years, β-Ga₂O₃ has demonstrated significant application potential in radiation environments such as aerospace due to its excellent physical properties. However, its damage behavior under high-energy proton irradiation requires further investigation. This study establishes structural models containing seven vacancy defects and systematically calculates defect formation energies and stabilities using density functional theory. Moreover, we analyze the effects of these defects on electronic structure, carrier mobility, and lattice thermal conductivity. The results indicate that high-energy proton irradiation primarily induces oxygen and gallium-oxygen complex vacancies. Among these, oxygen vacancies significantly reduce electron mobility, while gallium and gallium-oxygen complex vacancies decrease the bandgap. Polar optical phonon scattering is the dominant mechanism limiting carrier mobility of β-Ga₂O₃. All defects reduce thermal conductivity, with gallium and gallium-oxygen complex vacancies causing a more significant reduction. This study reveals the intrinsic connection between proton irradiation-induced defect types and the degradation of β-Ga₂O₃ material properties, providing theoretical foundations for radiation damage assessment of β-Ga₂O₃ based devices.

近年来，β-Ga2O3由于其优异的物理性能，在航空航天等辐射环境中显示出巨大的应用潜力。但其在高能质子辐照下的损伤行为有待进一步研究。本研究建立了包含7个空位缺陷的结构模型，并利用密度泛函理论系统地计算了缺陷形成能和稳定性。此外，我们还分析了这些缺陷对电子结构、载流子迁移率和晶格热导率的影响。结果表明，高能质子辐照主要诱导氧和镓氧配合物空位。其中，氧空位显著降低电子迁移率，而镓和镓氧配合物空位降低带隙。极性光学声子散射是限制β-Ga2O3载流子迁移率的主要机制。所有的缺陷都降低了导热系数，镓和镓氧络合物的空位导致了更显著的降低。本研究揭示了质子辐照缺陷类型与β-Ga2O3材料性能退化之间的内在联系，为β-Ga2O3基器件的辐射损伤评估提供了理论基础。

{"title":"Proton-induced defects in β-Ga2O3: A deep dive into electronic structure, carrier mobility, and thermal conductivity","authors":"Dan Han , Huitong Qin , Tongxiang Zhu , Hui Tu , Rongxing Cao , Yuxiong Xue","doi":"10.1016/j.mssp.2025.110347","DOIUrl":"10.1016/j.mssp.2025.110347","url":null,"abstract":"<div><div>In recent years, β-Ga<sub>2</sub>O<sub>3</sub> has demonstrated significant application potential in radiation environments such as aerospace due to its excellent physical properties. However, its damage behavior under high-energy proton irradiation requires further investigation. This study establishes structural models containing seven vacancy defects and systematically calculates defect formation energies and stabilities using density functional theory. Moreover, we analyze the effects of these defects on electronic structure, carrier mobility, and lattice thermal conductivity. The results indicate that high-energy proton irradiation primarily induces oxygen and gallium-oxygen complex vacancies. Among these, oxygen vacancies significantly reduce electron mobility, while gallium and gallium-oxygen complex vacancies decrease the bandgap. Polar optical phonon scattering is the dominant mechanism limiting carrier mobility of β-Ga<sub>2</sub>O<sub>3</sub>. All defects reduce thermal conductivity, with gallium and gallium-oxygen complex vacancies causing a more significant reduction. This study reveals the intrinsic connection between proton irradiation-induced defect types and the degradation of β-Ga<sub>2</sub>O<sub>3</sub> material properties, providing theoretical foundations for radiation damage assessment of β-Ga<sub>2</sub>O<sub>3</sub> based devices.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"205 ","pages":"Article 110347"},"PeriodicalIF":4.6,"publicationDate":"2025-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145798404","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Fabrication of BiOI/UiO-66 Z-scheme heterojunctions with improved photodegradation performance of tetracycline 提高四环素光降解性能的BiOI/UiO-66 z型异质结的制备

IF 4.6 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2025-12-16 DOI: 10.1016/j.mssp.2025.110322

Xinyu Bai , Saheed O Sanni , Zhengliang Dong , Yanjun Zhang , Jianping Shang , Jiyan Zhan , Dong Zhang , Ming Wang , Huiping Tang

Bismuth oxybromide (BiOI), amidst the bismuth-based semiconductor materials, tends to agglomerate and aggregate during the preparation process, despite its promising potential in environmental pollution control. To address this challenge, this study thus fabricates a series of BiOI/UiO-66 (BU-X) composites through an in-situ co-precipitation hydrothermal method, with significant photocatalytic activity towards the degradation of tetracycline (TC). The BU-6 exhibits significantly improved degradation efficiency (95.8 %) than either single component (BiOI - 50.0 % and UiO-66 - 40.5 %) within 16 min under optimal conditions (0.50 g/L catalyst dosage, pH 7). The high activity of BU-6 is attributed to reduced particle aggregation, high specific surface area, and expedited photogenerated charge carrier migration pathway. Free radical trapping experiments and ESR further confirm the hierarchy of reactive oxidative species (ROS) influence on the TC photodegradation. The TC degradation reaction pathway aligns with a Z-scheme heterojunction mechanism, thus promoting the redox capability of the BU-6 catalyst. Finally, the photocatalyst maintained stability after four cycles, and the growth of mung beans was promoted using the treated TC solution, thus highlighting reduced toxicity after photodegradation.

在铋基半导体材料中，氧化溴化铋（BiOI）在制备过程中容易结块和聚集，但在环境污染控制方面具有很大的潜力。为了解决这一挑战，本研究通过原位共沉淀法制备了一系列BiOI/UiO-66 （BU-X）复合材料，对四环素（TC）的降解具有显著的光催化活性。在催化剂投加量为0.50 g/L， pH为7的条件下，在16 min内，BU-6的降解效率（95.8%）明显高于单一组分（BiOI - 50.0%和UiO-66 - 40.5%）。BU-6的高活性归因于粒子聚集减少，比表面积高，光生载流子迁移途径加快。自由基捕获实验和ESR进一步证实了活性氧（ROS）对TC光降解影响的层次性。TC降解反应路径符合z -图式异质结机制，从而提高了BU-6催化剂的氧化还原能力。最后，光催化剂在四个循环后保持稳定，处理后的TC溶液促进绿豆的生长，从而突出了光降解后毒性的降低。

{"title":"Fabrication of BiOI/UiO-66 Z-scheme heterojunctions with improved photodegradation performance of tetracycline","authors":"Xinyu Bai , Saheed O Sanni , Zhengliang Dong , Yanjun Zhang , Jianping Shang , Jiyan Zhan , Dong Zhang , Ming Wang , Huiping Tang","doi":"10.1016/j.mssp.2025.110322","DOIUrl":"10.1016/j.mssp.2025.110322","url":null,"abstract":"<div><div>Bismuth oxybromide (BiOI), amidst the bismuth-based semiconductor materials, tends to agglomerate and aggregate during the preparation process, despite its promising potential in environmental pollution control. To address this challenge, this study thus fabricates a series of BiOI/UiO-66 (BU-X) composites through an in-situ co-precipitation hydrothermal method, with significant photocatalytic activity towards the degradation of tetracycline (TC). The BU-6 exhibits significantly improved degradation efficiency (95.8 %) than either single component (BiOI - 50.0 % and UiO-66 - 40.5 %) within 16 min under optimal conditions (0.50 g/L catalyst dosage, pH 7). The high activity of BU-6 is attributed to reduced particle aggregation, high specific surface area, and expedited photogenerated charge carrier migration pathway. Free radical trapping experiments and ESR further confirm the hierarchy of reactive oxidative species (ROS) influence on the TC photodegradation. The TC degradation reaction pathway aligns with a Z-scheme heterojunction mechanism, thus promoting the redox capability of the BU-6 catalyst. Finally, the photocatalyst maintained stability after four cycles, and the growth of <em>mung beans</em> was promoted using the treated TC solution, thus highlighting reduced toxicity after photodegradation.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"205 ","pages":"Article 110322"},"PeriodicalIF":4.6,"publicationDate":"2025-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145798486","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Adsorption behavior of toxic gas molecules on Si9C15: Potential applications as a high-sensitivity and reusable gas sensor Si9C15对有毒气体分子的吸附行为：作为高灵敏度和可重复使用气体传感器的潜在应用

IF 4.6 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2025-12-16 DOI: 10.1016/j.mssp.2025.110352

Meng Guo , Taifei Zhao , Zhen Cui

The development of high-performance gas sensors is crucial for detecting harmful gases in modern environments. In this study, first-principles calculations were employed to investigate the adsorption characteristics of CO, NH₃, NO, NO₂, and SO₂ gases adsorbed on two-dimensional Si₉C₁₅. The interaction between Si₉C₁₅ and these five toxic gases significantly modulated its band gap, which shifted from 0.10 eV to 1.78 eV. Notably, CO, NO, NO₂, and SO₂ act as charge acceptors, with NO₂ exhibiting the strongest adsorption on Si₉C₁₅ and the highest charge transfer. Interestingly, both NO and NO₂ induce a transition to a magnetic semiconductor state in the Si₉C₁₅ system, resulting in spin-polarized semiconducting behavior. In contrast, the adsorption of CO, NH₃, and SO₂ maintains the non-magnetic semiconductor properties. The optical properties are enhanced upon adsorption of CO, NO, and SO₂, with a pronounced extension of absorption into the visible light region. Furthermore, the recovery times for CO, NO, and SO₂ are 2.10 × 10 ⁻¹⁰ s, 2.26 × 10 ⁻⁵ s, and 4.27 × 10 ⁻⁹ s, respectively. Sensitivity analysis indicates that the Si₉C₁₅ gas sensor exhibits the highest sensitivity to NO₂ (93 %).

高性能气体传感器的发展对于现代环境中有害气体的检测至关重要。本研究采用第一性原理计算研究了二维Si9C15吸附CO、NH3、NO、NO2和SO2气体的吸附特性。Si9C15与这5种有毒气体的相互作用显著调节了其带隙，带隙从0.10 eV变化到1.78 eV。值得注意的是，CO、NO、NO2和SO2作为电荷受体，其中NO2在Si9C15上的吸附最强，电荷转移最多。有趣的是，在Si9C15体系中，NO和NO2都能诱导过渡到磁性半导体状态，从而产生自旋极化半导体行为。相反，对CO， NH3和SO2的吸附保持了非磁性半导体性质。吸附CO， NO和SO2后，光学性能得到增强，吸收范围明显扩展到可见光区。CO、NO和SO2的回收时间分别为2.10 × 10−10 s、2.26 × 10−5 s和4.27 × 10−9 s。灵敏度分析表明，Si9C15气体传感器对NO2的灵敏度最高（93%）。

{"title":"Adsorption behavior of toxic gas molecules on Si9C15: Potential applications as a high-sensitivity and reusable gas sensor","authors":"Meng Guo , Taifei Zhao , Zhen Cui","doi":"10.1016/j.mssp.2025.110352","DOIUrl":"10.1016/j.mssp.2025.110352","url":null,"abstract":"<div><div>The development of high-performance gas sensors is crucial for detecting harmful gases in modern environments. In this study, first-principles calculations were employed to investigate the adsorption characteristics of CO, NH<sub>3</sub>, NO, NO<sub>2</sub>, and SO<sub>2</sub> gases adsorbed on two-dimensional Si<sub>9</sub>C<sub>15</sub>. The interaction between Si<sub>9</sub>C<sub>15</sub> and these five toxic gases significantly modulated its band gap, which shifted from 0.10 eV to 1.78 eV. Notably, CO, NO, NO<sub>2</sub>, and SO<sub>2</sub> act as charge acceptors, with NO<sub>2</sub> exhibiting the strongest adsorption on Si<sub>9</sub>C<sub>15</sub> and the highest charge transfer. Interestingly, both NO and NO<sub>2</sub> induce a transition to a magnetic semiconductor state in the Si<sub>9</sub>C<sub>15</sub> system, resulting in spin-polarized semiconducting behavior. In contrast, the adsorption of CO, NH<sub>3</sub>, and SO<sub>2</sub> maintains the non-magnetic semiconductor properties. The optical properties are enhanced upon adsorption of CO, NO, and SO<sub>2</sub>, with a pronounced extension of absorption into the visible light region. Furthermore, the recovery times for CO, NO, and SO<sub>2</sub> are 2.10 × 10 <sup>−10</sup> s, 2.26 × 10 <sup>−5</sup> s, and 4.27 × 10 <sup>−9</sup> s, respectively. Sensitivity analysis indicates that the Si<sub>9</sub>C<sub>15</sub> gas sensor exhibits the highest sensitivity to NO<sub>2</sub> (93 %).</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"205 ","pages":"Article 110352"},"PeriodicalIF":4.6,"publicationDate":"2025-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145798401","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Enhancement of retention characteristics of organic field-effect memory device with pentacene/N2200/tetracene heterostructure 并五烯/N2200/四烯异质结构增强有机场效应记忆器件的保留特性

IF 4.6 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2025-12-15 DOI: 10.1016/j.mssp.2025.110350

Lei Wu , Jing Chen , Qiao Luo , Luanfang Duan

Pentacene is regarded as an ideal material for the channel layer in organic field-effect transistors (OFETs) because of its high hole field-effect mobility and excellent film-forming properties. However, the interface between pentacene and other dielectric materials often results in a high density of positive charge defects, leading to elevated operating voltages and poor retention. In this study, an optimized organic semiconductor heterostructure was developed through advanced interface engineering, featuring a P–N–P junction configuration of pentacene/poly{[N,N′-bis(2-octyldodecyl)-naphthalene-1,4,5,8-bis-(dicarboximide)-2,6-diyl]-alt-5,5’-(2,2′-bithiophene)}(N2200)/tetracene for OFET memory devices. Electrical characterization confirms that this integrated heterostructure delivers superior charge transport and storage performance. Consequently, the optimized OFET device with a 30-nm pentacene/8-nm N2200/15-nm tetracene configuration exhibits excellent memory performance, including a memory window of ∼16.5 V at a gate sweep of ±20 V, a retention time exceeding 10⁴ s and reliability over 4000 programming/erasing cycles. This study demonstrates an effective interface-engineering strategy for enhancing the reliability of OFET memories.

并五苯具有较高的空穴场效应迁移率和优异的成膜性能，被认为是有机场效应晶体管沟道层的理想材料。然而，并五苯与其他介电材料之间的界面通常会导致高密度的正电荷缺陷，从而导致工作电压升高和保留率差。在本研究中，通过先进的界面工程，开发了一种优化的有机半导体异质结构，该结构具有P-N-P结构型，用于OFET存储器件的并五烯/聚{[N，N ' -双（2-辛基十二烷基）-萘-1,4,5,8-双-（二碳酰亚胺）-2,6-二基]-alt-5,5 ' -（2,2 ' -双噻吩）}(N2200)/四烯。电学表征证实，这种集成异质结构具有优越的电荷传输和存储性能。因此，优化后的OFET器件具有30 nm的并五烯/8 nm的n2200 /15 nm的四烯结构，具有优异的记忆性能，包括在±20 V的栅极扫描下的记忆窗口为~ 16.5 V，保持时间超过104 s，可靠性超过4000次编程/擦除周期。本研究展示了一种有效的接口工程策略来提高OFET记忆的可靠性。

{"title":"Enhancement of retention characteristics of organic field-effect memory device with pentacene/N2200/tetracene heterostructure","authors":"Lei Wu , Jing Chen , Qiao Luo , Luanfang Duan","doi":"10.1016/j.mssp.2025.110350","DOIUrl":"10.1016/j.mssp.2025.110350","url":null,"abstract":"<div><div>Pentacene is regarded as an ideal material for the channel layer in organic field-effect transistors (OFETs) because of its high hole field-effect mobility and excellent film-forming properties. However, the interface between pentacene and other dielectric materials often results in a high density of positive charge defects, leading to elevated operating voltages and poor retention. In this study, an optimized organic semiconductor heterostructure was developed through advanced interface engineering, featuring a P–N–P junction configuration of pentacene/poly{[N,N′-bis(2-octyldodecyl)-naphthalene-1,4,5,8-bis-(dicarboximide)-2,6-diyl]-alt-5,5’-(2,2′-bithiophene)}(N2200)/tetracene for OFET memory devices. Electrical characterization confirms that this integrated heterostructure delivers superior charge transport and storage performance. Consequently, the optimized OFET device with a 30-nm pentacene/8-nm N2200/15-nm tetracene configuration exhibits excellent memory performance, including a memory window of ∼16.5 V at a gate sweep of ±20 V, a retention time exceeding 10<sup>4</sup> s and reliability over 4000 programming/erasing cycles. This study demonstrates an effective interface-engineering strategy for enhancing the reliability of OFET memories.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"205 ","pages":"Article 110350"},"PeriodicalIF":4.6,"publicationDate":"2025-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145798347","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

In-situ ECMP polishing of silicon wafers assisted by piezo-electric abrasives 压电磨料辅助硅片的原位ECMP抛光

IF 4.6 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2025-12-15 DOI: 10.1016/j.mssp.2025.110341

Jiangfan Yi , Baoxiu Wang , Weidong Yang , Tao Sun

Prime silicon wafers, the dominant substrate in integrated circuit (IC) fabrication, require exceptionally high surface quality and flatness. Chemical mechanical polishing (CMP) serves as a critical process in silicon wafer production, while electrochemical-assisted mechanical polishing (ECMP) is recognized as one of the effective techniques for achieving high quality surface on Si wafers. Due to the constraints imposed by implementing the electric field on polishing apparatus, we propose an in-situ generated electric-field assisted CMP strategy using piezoelectric BaTiO₃ abrasives in CMP process, which eliminates the need for external electric voltage. This approach enables the piezoelectric abrasives to in-situ generate electric field under the polishing down-force and shear-force from substrate spinning, thereby enhancing polishing efficiency. XPS analysis reveals that the piezoelectric effect from piezo-electric abrasives induces a 7.9-fold increase in Si-O bond formation, facilitating the growth of an ultrathin silica layer (1–3 nm). This soft oxide layer is efficiently removed by abrasive action, leading the material removal rate increased by 647 nm/min and the surface roughness decreased to 6.58 nm. To the best of our knowledge, this study is the first to explore the application of piezoelectric abrasives in Si wafer polishing, and provides an alternative to enhance polishing efficiency without implementing external electric field.

原生硅片是集成电路（IC）制造中的主要衬底，对表面质量和平面度要求极高。化学机械抛光（CMP）是硅片生产的关键工艺，而电化学辅助机械抛光（ECMP）是获得高质量硅片表面的有效技术之一。由于电场对抛光装置施加的限制，我们提出了一种在CMP过程中使用压电BaTiO3磨料的原位产生电场辅助CMP策略，该策略消除了对外部电压的需求。该方法使压电磨料在基片旋转产生的抛光下向力和剪切力作用下就地产生电场，从而提高了抛光效率。XPS分析表明，压电磨料的压电效应导致Si-O键形成增加7.9倍，促进了超薄二氧化硅层（1-3 nm）的生长。该软氧化层在磨料作用下被有效去除，材料去除率提高647 nm/min，表面粗糙度降至6.58 nm。据我们所知，本研究首次探索了压电磨料在硅片抛光中的应用，并提供了一种无需施加外电场即可提高抛光效率的替代方法。

{"title":"In-situ ECMP polishing of silicon wafers assisted by piezo-electric abrasives","authors":"Jiangfan Yi , Baoxiu Wang , Weidong Yang , Tao Sun","doi":"10.1016/j.mssp.2025.110341","DOIUrl":"10.1016/j.mssp.2025.110341","url":null,"abstract":"<div><div>Prime silicon wafers, the dominant substrate in integrated circuit (IC) fabrication, require exceptionally high surface quality and flatness. Chemical mechanical polishing (CMP) serves as a critical process in silicon wafer production, while electrochemical-assisted mechanical polishing (ECMP) is recognized as one of the effective techniques for achieving high quality surface on Si wafers. Due to the constraints imposed by implementing the electric field on polishing apparatus, we propose an in-situ generated electric-field assisted CMP strategy using piezoelectric BaTiO<sub>3</sub> abrasives in CMP process, which eliminates the need for external electric voltage. This approach enables the piezoelectric abrasives to in-situ generate electric field under the polishing down-force and shear-force from substrate spinning, thereby enhancing polishing efficiency. XPS analysis reveals that the piezoelectric effect from piezo-electric abrasives induces a 7.9-fold increase in Si-O bond formation, facilitating the growth of an ultrathin silica layer (1–3 nm). This soft oxide layer is efficiently removed by abrasive action, leading the material removal rate increased by 647 nm/min and the surface roughness decreased to 6.58 nm. To the best of our knowledge, this study is the first to explore the application of piezoelectric abrasives in Si wafer polishing, and provides an alternative to enhance polishing efficiency without implementing external electric field.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"205 ","pages":"Article 110341"},"PeriodicalIF":4.6,"publicationDate":"2025-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145798402","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Highly dispersed Ni in Poly(heptazine imide) for efficient visible-light-induced photodegradation of dyes: Unraveling the mechanism and band structures 高分散镍在聚七嗪亚胺中用于染料的可见光诱导光降解：揭示机制和能带结构

IF 4.6 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2025-12-14 DOI: 10.1016/j.mssp.2025.110342

Jânio S. Almeida , Walker Vinícius F.C. Batista , Ivan J.S. Junior , Manoel José M. Pires , João P. de Mesquita , Valmor R. Masteralo , Osmando F. Lopes , Márcio C. Pereira , Mariandry Rodriguez , Henrique A.J.L. Mourão

The development of efficient photocatalysts under visible light remains one of the most significant challenges in the field of heterogeneous photocatalysis. In this work, we report the synthesis of potassium poly(heptazine imide) (K-PHI), an ionic carbon nitride containing potassium cations in its structure, which was used as a support for stabilizing highly dispersed nickel sites via cation exchange for photocatalysis applications under visible irradiation. FTIR and XPS results revealed the presence of Ni–N bonds in the Ni-PHI sample, and the EDS analyses indicated highly dispersed Ni on the PHI support. Additionally, the Mott-Schottky analysis revealed a shift of the conduction band toward more negative potentials. The photocatalytic activity of the materials was evaluated using the dye indigo carmine (IC) as a model molecule. The results indicated a significant increase in photocatalytic efficiency for IC dye degradation, reaching 93 % in 460 min in the presence of the Ni-PHI photocatalyst under visible light irradiation. The kinetic study demonstrated that the pseudo-first-order rate constant for Ni-PHI was 65 times greater than that obtained for pure K-PHI. A possible reaction mechanism for the enhanced photocatalytic activity of Ni-PHI was proposed through radical scavenging experiments and Mott-Schottky analysis. Furthermore, reusability tests confirm that Ni-PHI is stable even after five successive experimental cycles, making it a promising candidate for applications in environmental remediation processes.

在可见光下开发高效的光催化剂仍然是多相光催化领域的重大挑战之一。在这项工作中，我们报道了聚七嗪亚胺钾（K-PHI）的合成，这是一种在其结构中含有钾阳离子的离子氮化碳，它被用作在可见光下通过阳离子交换稳定高度分散的镍位点的载体。FTIR和XPS结果显示Ni-PHI样品中存在Ni- n键，EDS分析表明Ni在PHI载体上高度分散。此外，莫特-肖特基分析揭示了传导带向更多负电位的转移。以染料靛蓝胭脂红（IC）为模型分子，评价了材料的光催化活性。结果表明，在可见光照射下，Ni-PHI光催化剂存在时，IC染料降解的光催化效率在460 min内达到93%。动力学研究表明，Ni-PHI的伪一级速率常数比纯K-PHI的伪一级速率常数大65倍。通过自由基清除实验和Mott-Schottky分析，提出了Ni-PHI光催化活性增强的可能反应机理。此外，可重复使用性测试证实，即使经过五个连续的实验循环，Ni-PHI也是稳定的，这使其成为环境修复过程中有希望应用的候选者。

{"title":"Highly dispersed Ni in Poly(heptazine imide) for efficient visible-light-induced photodegradation of dyes: Unraveling the mechanism and band structures","authors":"Jânio S. Almeida , Walker Vinícius F.C. Batista , Ivan J.S. Junior , Manoel José M. Pires , João P. de Mesquita , Valmor R. Masteralo , Osmando F. Lopes , Márcio C. Pereira , Mariandry Rodriguez , Henrique A.J.L. Mourão","doi":"10.1016/j.mssp.2025.110342","DOIUrl":"10.1016/j.mssp.2025.110342","url":null,"abstract":"<div><div>The development of efficient photocatalysts under visible light remains one of the most significant challenges in the field of heterogeneous photocatalysis. In this work, we report the synthesis of potassium poly(heptazine imide) (K-PHI), an ionic carbon nitride containing potassium cations in its structure, which was used as a support for stabilizing highly dispersed nickel sites via cation exchange for photocatalysis applications under visible irradiation. FTIR and XPS results revealed the presence of Ni–N bonds in the Ni-PHI sample, and the EDS analyses indicated highly dispersed Ni on the PHI support. Additionally, the Mott-Schottky analysis revealed a shift of the conduction band toward more negative potentials. The photocatalytic activity of the materials was evaluated using the dye indigo carmine (IC) as a model molecule. The results indicated a significant increase in photocatalytic efficiency for IC dye degradation, reaching 93 % in 460 min in the presence of the Ni-PHI photocatalyst under visible light irradiation. The kinetic study demonstrated that the pseudo-first-order rate constant for Ni-PHI was 65 times greater than that obtained for pure K-PHI. A possible reaction mechanism for the enhanced photocatalytic activity of Ni-PHI was proposed through radical scavenging experiments and Mott-Schottky analysis. Furthermore, reusability tests confirm that Ni-PHI is stable even after five successive experimental cycles, making it a promising candidate for applications in environmental remediation processes.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"205 ","pages":"Article 110342"},"PeriodicalIF":4.6,"publicationDate":"2025-12-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145798351","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Transition from indirect to direct band gap in two-dimensional BP/SiC heterojunctions: A first-principles study 二维BP/SiC异质结从间接带隙到直接带隙的转变：第一性原理研究

IF 4.6 3区工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC

Materials Science in Semiconductor Processing

Pub Date : 2025-12-14 DOI: 10.1016/j.mssp.2025.110345

Na Zhu , Ying Yang , Xihao Peng , Yongkang Xue , Peizheng Tang , Jianing Hu , Xucheng Liu , Yan Li

Heterogeneous stacking is an effective method for altering the electrical and optical properties of two-dimensional materials. Both the novel two-dimensional tetrahexagonal structure boron phosphide (th-BP) and silicon carbide (th-SiC) are indirect narrow band gap semiconductor materials and have significant application value in photocatalysts, photodetectors, and flexible electronic devices, etc. In this paper, the electronic properties of four different configurations of th-BP/th-SiC heterojunctions and the modulation effect of strain on the band structure of the heterojunctions are studied using first-principles, particularly the band structure calculations and the influence of interfaces and strain on the band structures of heterojunctions. Research has found that only the P-C interface heterojunction exhibits a direct band gap among the four heterointerfaces, while the other three interfaces show an indirect band gap. Their band gaps are 1.51 eV, 1.39 eV, 0.16 eV, and 1.36 eV respectively, and they belong to type-Ⅰ band alignment. Strain can modify the band structures. Applying compressive strain can transform the heterojunction with an indirect band gap at the B-Si interface heterojunction into a direct band gap structure, while applying tensile strain can change the originally direct band gap of the P-C interface heterojunction into an indirect one. This will expand their application scope in the fields of microelectronics and optoelectronics. Typically, both tensile and compressive strain reduce the band gap of heterojunctions compared to their strain-free state. The exception is the P-Si interface heterojunction, where the band gap conversely increases under tensile strain. Their adjustable band gap range is 0.04 eV–1.65 eV. Under compressive strains of 2 % and 4 %, the B-Si interface heterojunction exhibits anisotropic light absorption, with the absorption edge in the infrared region and an obvious absorption peak in the red-light region. Furthermore, the four heterojunctions belong to covalently bonded heterojunctions.

非均相堆积是改变二维材料电学和光学性质的有效方法。新型二维四六方结构磷化硼（th-BP）和碳化硅（th-SiC）均为间接窄带隙半导体材料，在光催化剂、光电探测器、柔性电子器件等方面具有重要的应用价值。本文利用第一性原理研究了四种不同构型th-BP/th-SiC异质结的电子性质和应变对异质结能带结构的调制作用，特别是能带结构的计算以及界面和应变对异质结能带结构的影响。研究发现，四种异质界面中只有P-C界面异质结存在直接带隙，其他三种异质界面均存在间接带隙。它们的带隙分别为1.51 eV、1.39 eV、0.16 eV和1.36 eV，属于-Ⅰ型带对准。应变可以改变带的结构。施加压缩应变可将B-Si界面异质结处具有间接带隙的异质结转变为直接带隙结构，施加拉伸应变可将P-C界面异质结处原有的直接带隙转变为间接带隙结构。这将扩大其在微电子和光电子领域的应用范围。通常，与异质结的无应变状态相比，拉伸应变和压缩应变都会减小其带隙。例外是P-Si界面异质结，在拉伸应变下带隙反而增加。其可调带隙范围为0.04 eV - 1.65 eV。在2%和4%的压缩应变下，B-Si界面异质结表现出各向异性光吸收，吸收边在红外区，吸收峰在红光区。此外，这四个异质结属于共价键异质结。

{"title":"Transition from indirect to direct band gap in two-dimensional BP/SiC heterojunctions: A first-principles study","authors":"Na Zhu , Ying Yang , Xihao Peng , Yongkang Xue , Peizheng Tang , Jianing Hu , Xucheng Liu , Yan Li","doi":"10.1016/j.mssp.2025.110345","DOIUrl":"10.1016/j.mssp.2025.110345","url":null,"abstract":"<div><div>Heterogeneous stacking is an effective method for altering the electrical and optical properties of two-dimensional materials. Both the novel two-dimensional tetrahexagonal structure boron phosphide (<em>th-</em>BP) and silicon carbide (<em>th-</em>SiC) are indirect narrow band gap semiconductor materials and have significant application value in photocatalysts, photodetectors, and flexible electronic devices, etc. In this paper, the electronic properties of four different configurations of <em>th-</em>BP/<em>th-</em>SiC heterojunctions and the modulation effect of strain on the band structure of the heterojunctions are studied using first-principles, particularly the band structure calculations and the influence of interfaces and strain on the band structures of heterojunctions. Research has found that only the P-C interface heterojunction exhibits a direct band gap among the four heterointerfaces, while the other three interfaces show an indirect band gap. Their band gaps are 1.51 eV, 1.39 eV, 0.16 eV, and 1.36 eV respectively, and they belong to type-Ⅰ band alignment. Strain can modify the band structures. Applying compressive strain can transform the heterojunction with an indirect band gap at the B-Si interface heterojunction into a direct band gap structure, while applying tensile strain can change the originally direct band gap of the P-C interface heterojunction into an indirect one. This will expand their application scope in the fields of microelectronics and optoelectronics. Typically, both tensile and compressive strain reduce the band gap of heterojunctions compared to their strain-free state. The exception is the P-Si interface heterojunction, where the band gap conversely increases under tensile strain. Their adjustable band gap range is 0.04 eV–1.65 eV. Under compressive strains of 2 % and 4 %, the B-Si interface heterojunction exhibits anisotropic light absorption, with the absorption edge in the infrared region and an obvious absorption peak in the red-light region. Furthermore, the four heterojunctions belong to covalently bonded heterojunctions.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"205 ","pages":"Article 110345"},"PeriodicalIF":4.6,"publicationDate":"2025-12-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145798353","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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