Materials Science in Semiconductor Processing最新文献_第3页

The effect of hydrogen annealing on the electrical properties of β-Ga2O3/4H-SiC MOSFETs grown by liquid-injection MOCVD 氢退火对注液MOCVD生长β-Ga2O3/4H-SiC mosfet电学性能的影响

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

Materials Science in Semiconductor Processing

Pub Date : 2026-01-07 DOI: 10.1016/j.mssp.2025.110402

Fedor Hrubišák , Milan Ťapajna , Fridrich Egyenes , Ondrej Pohorelec , Edmund Dobročka , Alica Rosová , Kristína Hušeková , Andrej Vincze , Pavol Noga , Tibor Izsák , Boris Hudec , Tomáš Ščepka , Filip Gucmann

Gallium oxide (Ga₂O₃) is a promising semiconductor material for high-power electronics; however, its low thermal conductivity is a challenge for the device performance and reliability. To address this issue, heteroepitaxial β-Ga₂O₃ thin films were grown on highly-thermally-conductive 4H-SiC substrates using liquid-injection MOCVD and subjected to H-containing annealing at different temperatures to enhance their conductivity. The MOSFET devices processed on Si-doped β-Ga₂O₃ films were annealed at identified optimal temperature of 550 °C, and showed output current of 0.8 mA/mm, ON/OFF current ratio of ∼10⁶, and breakdown voltage of 150 V. Using structural, compositional, and electrical characterization of the films and devices, observed resistivity drop was attributed to H passivation of the compensating acceptor centers, possibly via formation of Ga-vacancy–hydrogen complexes. Low MOSFET output current was proposed to originate from nearest-neighbor hopping conduction with the activation energy of ∼141 meV. We propose the observed transport mechanism is a result of structural disorder introduced by O vacancies or Si-OH complexes. Further, another deeper donor with energy level of ∼69 meV was identified and assigned to Si atom occupying octahedrally-coordinated Ga site.

氧化镓（Ga2O3）是一种很有前途的大功率电子半导体材料；然而，其低导热系数对器件性能和可靠性构成了挑战。为了解决这一问题，利用液体注入MOCVD在高导热的4H-SiC衬底上生长了异质外延β-Ga2O3薄膜，并在不同温度下进行含h退火以提高其导电性。在硅掺杂β-Ga2O3薄膜上加工的MOSFET器件在确定的最佳温度550℃下退火，输出电流为0.8 mA/mm， on /OFF电流比为~ 106，击穿电压为150 V。通过对薄膜和器件的结构、组成和电学表征，观察到电阻率的下降归因于补偿受体中心的H钝化，可能是通过形成ga -空位-氢配合物。提出了低MOSFET输出电流源于最近邻跳变传导，活化能为~ 141 meV。我们认为观察到的输运机制是由O空位或Si-OH复合物引入的结构紊乱的结果。此外，另一个能量水平为~ 69 meV的深层供体被确定并分配到占据八面体配位Ga位点的Si原子上。

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引用次数: 0

DV/dt-Induced degradation and failure mechanisms in 1200 V SiC MOSFETs under dynamic reverse bias stress 动态反向偏置应力下1200v SiC mosfet的DV/dt诱导退化和失效机制

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

Materials Science in Semiconductor Processing

Pub Date : 2026-01-06 DOI: 10.1016/j.mssp.2026.110406

Liudan Kong, Jiuyang Tang, Jiaying Cao, Yifei Chang, Qingchun Jon Zhang, Pan Liu

With the widespread application of SiC devices in electric vehicles, high-frequency power supplies, and industrial systems, their long-term reliability under dynamic switching stress has attracted increasing attention. This paper investigates the reliability of 1200 V SiC MOSFETs under Dynamic Reverse Bias (DRB) stress, analyzing the impact of structural design and dV/dt on device degradation and failure behavior. Four commercial devices with different gate and termination structures were tested under dV/dt gradients ranging from 25 to 100 V/ns for 1000 h. Firstly, the active region structure influence for device degradation under DRB was investigated. Planar gate and trench gate structures exhibited distinct degradation behaviors, as reflected by different evolutions of the transfer characteristics. Secondly, termination design also plays an important role. The single junction termination extension (JTE) termination failed catastrophically under high-dV/dt. Further failure analysis and TCAD simulations revealed that the electric-field crowding caused localized breakdown. It is found that deep p-type injection or the improved termination with field limiting ring (FLR) added outside the JTE could effectively extend the depletion region, reduce field concentration, thus improving the dynamic robustness. It is concluded that a uniform potential distribution in the termination is essential to suppress local field enhancement and ensure reliable high-dV/dt operation in high-voltage SiC MOSFETs.

随着SiC器件在电动汽车、高频电源和工业系统中的广泛应用，其在动态开关应力下的长期可靠性越来越受到人们的关注。本文研究了1200v SiC mosfet在动态反向偏置（DRB）应力下的可靠性，分析了结构设计和dV/dt对器件退化和失效行为的影响。在25 ~ 100 V/ns的dV/dt梯度下，对4种具有不同栅极和端部结构的商用器件进行了1000 h的测试。首先，研究了有源区结构对器件在DRB下退化的影响。平面栅极和沟槽栅极结构表现出不同的退化行为，这反映在其传递特性的不同演化上。其次，终端设计也起着重要的作用。在高dv /dt条件下，单结端接延伸（JTE）端接失效。进一步的故障分析和TCAD仿真表明，电场拥挤导致局部击穿。研究发现，深p型注入或在JTE外添加场限制环（FLR）的改进端接可以有效地扩大耗尽区，降低场浓度，从而提高动态鲁棒性。结果表明，在高压SiC mosfet中，端部均匀的电位分布对于抑制局部场增强和确保可靠的高dv /dt工作至关重要。

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引用次数: 0

Investigation on electrical and optoelectronic properties of In4Se3 Nanosheet-Si mixed-dimensional heterojunction devices In4Se3纳米片-硅混合维异质结器件的电学和光电子特性研究

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

Materials Science in Semiconductor Processing

Pub Date : 2026-01-06 DOI: 10.1016/j.mssp.2026.110422

Shixin Li , Zilin Ye , Zhuangzhi Li , Shaochang Wang , Chunhui Zhu

High-quality In₄Se₃ single crystals were synthesized using the Bridgman method. Multilayer In₄Se₃ nanosheets exfoliated from the crystals showed an experimental bandgap of approximately 1.17 eV. A mixed-dimensional van der Waals heterostructure was constructed by integrating two-dimensional In₄Se₃ nanosheets with a three-dimensional silicon substrate. The resulting In₄Se₃ nanosheet-Si heterojunction device exhibited a rectification ratio up to 1029 at room temperature. Temperature-dependent electrical measurements revealed that the carrier transport is dominated by barrier inhomogeneity. Under 650 nm illumination, the device showed a pronounced photoresponse, with a responsivity of 23.1 A/W, a photoswitching ratio of 2470, and a specific detectivity of 1.61 × 10¹² Jones. The external quantum efficiency reached 4.42 × 10³ %, accompanied by a rise time of 120 μs and a fall time of 360 μs.

采用Bridgman法合成了高质量的In4Se3单晶。从晶体上剥离的多层In4Se3纳米片显示出约1.17 eV的实验带隙。通过将二维In4Se3纳米片与三维硅衬底集成，构建了一种混合维范德华异质结构。所得的In4Se3纳米片- si异质结器件在室温下的整流比高达1029。温度相关的电测量表明，载流子输运是由势垒不均匀性主导的。在650 nm光照下，器件表现出明显的光响应，响应度为23.1 a /W，光电开关比为2470，比探测率为1.61 × 1012 Jones。外量子效率达到4.42 × 103%，上升时间为120 μs，下降时间为360 μs。

引用次数: 0

First-principles study of lead-free halide double perovskite Cs2B'AgX6 (B'=Ir, Rh, X = Cl, Br, and I) as potential material in optoelectronic devices with SISSO-based feature selection 无铅卤化物双钙钛矿Cs2B' agx6 （B'=Ir, Rh, X = Cl, Br, and I）作为基于sisso特征选择的光电器件潜在材料的第一性原理研究

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

Materials Science in Semiconductor Processing

Pub Date : 2026-01-06 DOI: 10.1016/j.mssp.2025.110403

Gang Liu , Baonan Jia , Zhengjun Wang , Shengjiao Qian , Bohao Cui , Yuxi Bi , Chao Dong , Changcheng Chen , Pengfei Lu

Double perovskites have attracted significant attention due to their ability to modulate photovoltaic properties and exhibit higher stability through elemental control. However, most double perovskites face the challenges of large band gap ranges and indirect band gaps. To enhance the performance of fully inorganic double perovskites and reduce the use of lead, this study employs a combination of density functional theory (DFT) and the SISSO algorithm in machine learning to investigate the structural, stability, electronic, and optical properties of lead-free halide double perovskite Cs₂B'AgX₆ (B' = Ir, Rh; X = Cl, Br, and I). The results of thermodynamic stability and electronic properties show that these double perovskites have higher stability than lead-based perovskites and exhibit an appropriate band gap range for optoelectronic applications. The band gap decreases from 0.89 eV to 1.6 eV as halogen elements are substituted from Cl to I. Moreover, the double perovskite demonstrates strong light absorption. These results suggest that Cs₂B'AgX₆ (B' = Ir, Rh; X = Cl, Br, and I) double perovskites hold great potential in optoelectronic applications.

双钙钛矿由于其能够通过元素控制调制光伏特性并表现出更高的稳定性而引起了人们的极大关注。然而，大多数双钙钛矿都面临着大带隙范围和间接带隙的挑战。为了提高全无机双钙钛矿的性能，减少铅的使用，本研究结合密度泛函理论（DFT）和机器学习中的SISSO算法，研究了无铅卤化物双钙钛矿Cs2B' agx6 （B' = Ir, Rh; X = Cl, Br, and I）的结构、稳定性、电子和光学性质。热力学稳定性和电子性能的结果表明，这些双钙钛矿比铅基钙钛矿具有更高的稳定性，并且具有合适的光电应用带隙范围。当卤素元素由Cl取代为i时，带隙从0.89 eV减小到1.6 eV，双钙钛矿具有较强的光吸收能力。这些结果表明Cs2B' agx6 （B' = Ir, Rh; X = Cl, Br, and I）双钙钛矿在光电应用中具有很大的潜力。

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引用次数: 0

Tuning phase purity, magnetic softness, and microwave absorption in Co0.75Ni0.25Ti0.975Y0.025O3 via controlled milling and sintering 通过控制铣削和烧结调整Co0.75Ni0.25Ti0.975Y0.025O3的相纯度、磁性柔软度和微波吸收

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

Materials Science in Semiconductor Processing

Pub Date : 2026-01-06 DOI: 10.1016/j.mssp.2025.110390

Tesalonika Siregar , Yunasfi , Mashadi , Wisnu Ari Adi , Budhy Kurniawan , Jan Setiawan

Phase purity and magnetic properties play a crucial role in determining the effectiveness of electromagnetic (EM) wave absorption. This study investigates the influence of milling duration and sintering temperature on the crystal structure, magnetic behavior, and microwave absorption performance of the perovskite material Co₀.₇₅Ni₀.₂₅Ti₀.₉₇₅Y₀.₀₂₅O₃ (CNTYO), synthesized via the solid-state reaction assisted by high-energy milling. X-ray diffraction results confirmed the formation of a single-phase perovskite structure after ≥5 h of milling. The 7 h-milled sample exhibited the best absorption performance, with a minimum reflection loss (|RL_max|) of −21.94 dB at 6.17 GHz for a thickness of 1.5 mm. Prolonged milling enhanced microstructural homogeneity and interfacial polarization, improving impedance matching between the material and free space. Sintering at higher temperatures (1100–1200 °C) induced the formation of a Ti₂Y₂O₇ secondary phase, which reduced defect density and magnetic dielectric losses, thereby weakening the overall absorption performance. The material exhibits low-magnetization magnetic behavior dominated by weak ferromagnetic or paramagnetic-like contributions. These findings emphasize that precise control of milling and sintering parameters is essential for tailoring phase purity, magnetic properties, and electromagnetic response, establishing CNTYO as a lightweight and thermally stable candidate for advanced radar-absorbing material (RAM) applications.

相位纯度和磁性能是决定电磁波吸收效果的关键因素。采用高能磨矿辅助固相反应合成了钙钛矿材料Co0.75Ni0.25Ti0.975Y0.025O3 (CNTYO)，研究了磨矿时间和烧结温度对其晶体结构、磁性行为和微波吸收性能的影响。x射线衍射结果证实，在磨矿≥5 h后，形成了单相钙钛矿结构。在厚度为1.5 mm时，在6.17 GHz处的最小反射损耗（|RLmax|）为- 21.94 dB。长时间铣削增强了显微组织的均匀性和界面极化，改善了材料与自由空间之间的阻抗匹配。高温（1100 ~ 1200℃）烧结诱导Ti2Y2O7二次相的形成，降低了缺陷密度和磁介电损耗，从而削弱了整体吸收性能。材料表现出由弱铁磁性或类顺磁性贡献主导的低磁化磁性行为。这些发现强调，精确控制铣削和烧结参数对于定制相纯度、磁性和电磁响应至关重要，从而使CNTYO成为先进雷达吸收材料（RAM）应用的轻质、热稳定的候选材料。

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引用次数: 0

Giant ferroelastic stress modulation in AlGaN/GaN heterostructure and its transport mechanism AlGaN/GaN异质结构中的巨铁弹性应力调制及其输运机制

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

Materials Science in Semiconductor Processing

Pub Date : 2026-01-06 DOI: 10.1016/j.mssp.2026.110418

Junxiong Chai , Zhezhe Cong , Xiaoli Lu

Wide bandgap semiconductors have gained significant attention in RF device applications owing to their superior carrier mobility. To enhance the carrier mobility within the channel, researchers have employed the deposition of gate dielectrics to modulate the internal stress of GaN. Nevertheless, this dielectric deposition process inevitably introduces defects, which can detrimentally impact device performance. Our group previously demonstrated that the regulation of ferroelectric polarization effectively mitigates interface states. In this paper, the interplay between GaN internal stress and carrier mobility under the influence of nanochannel ferroelastic stress modulation has been explored. The output current and transconductance exhibited substantial enhancements, reaching 1026 mA/mm and 259 mS/mm, respectively. After the 680 nm channel formation, the compressive stress was reduced to 0.37 GPa, with carrier mobility increasing to 2610 cm²/V·s (110 % of the initial value). The reduction of compressive stress improves carrier mobility to a certain extent. This research provides a straightforward and efficacious approach to investigating the factors through which ferroelastic modulation influences the internal stress in GaN.

宽带隙半导体由于其优越的载流子迁移性，在射频器件应用中得到了极大的关注。为了提高沟道内载流子的迁移率，研究人员采用栅极电介质沉积来调节氮化镓的内应力。然而，这种介质沉积过程不可避免地会引入缺陷，从而对器件性能产生不利影响。我们的团队先前证明了铁电极化的调节有效地减轻了界面状态。本文探讨了纳米通道铁弹性应力调制影响下氮化镓内应力与载流子迁移率之间的相互作用。输出电流和跨导均有显著增强，分别达到1026 mA/mm和259 mS/mm。在680 nm通道形成后，压缩应力降低到0.37 GPa，载流子迁移率增加到2610 cm2/V·s（为初始值的110%）。压应力的减小在一定程度上提高了载流子的迁移率。本研究为研究铁弹性调制影响氮化镓内应力的因素提供了一种简单有效的方法。

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引用次数: 0

2 kV normally-off recessed p-NiO gate GaN-based HEMTs fabricated using “buffer-free” AlGaN/GaN heterostructures on SiC substrates 在SiC衬底上采用“无缓冲”AlGaN/GaN异质结构制备的2kv常关凹槽p-NiO栅极GaN基hemt

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

Materials Science in Semiconductor Processing

Pub Date : 2026-01-05 DOI: 10.1016/j.mssp.2025.110385

Justyna Wierzbicka , Wojciech Hendzelek , Maciej Kamiński , Jarosław Tarenko , Joanna Jankowska-Śliwińska , Aleksandra Wójcicka , Oskar Sadowski , Aneta Gołębiowska , Krzysztof Urbanowski , Veronica Gao Zhan , Anna Szerling , Andrzej Taube

The usage of p-NiO-based gate architecture can be beneficial over conventionally used p-GaN gate structure in the construction of normally-off GaN-based high electron mobility transistors, due to simpler, cost-effective and low-thermal budget fabrication process flow. Here in this work we report normally-off recessed p-NiO gate GaN-based HEMTs fabricated on "buffer-free" AlGaN/GaN heterostructure on 4H-SiC substrate. By using 17 nm recess p-NiO gate structure, appropriate post-deposition annealing and passivation scheme high positive threshold +0.8V (+0.2 V), high drain output current over 0.7 A/mm and low subthreshold swing 80 mV/dec and on-state resistance 10 Ωmm were obtained simultaneously. Thanks to the use of a high-quality heterostructure on a semi-insulating substrate and the absence of substrate leakage current, normally-off devices with high breakdown voltage values of up to 2 kV for a gate-drain distance of 20 μm were achieved, which corresponds to an average breakdown field value of 1 MV/cm, without the use of additional field-plate termination structures.

基于p- nio的栅极结构比传统的p-GaN栅极结构更有利于构建基于gan的高电子迁移率晶体管，因为它更简单，成本效益和低热预算的制造工艺流程。在这项工作中，我们报道了在4H-SiC衬底上“无缓冲”AlGaN/GaN异质结构上制造的正常关闭的p-NiO栅极GaN基hemt。采用17 nm凹槽p-NiO栅极结构，采用适当的沉积后退火和钝化方案，同时获得高正阈值+0.8V (+0.2 V)，高漏极输出电流大于0.7 A/mm，低亚阈值摆幅80 mV/dec和导通电阻10 Ωmm。由于在半绝缘衬底上使用了高质量的异质结构，并且没有衬底泄漏电流，因此在栅极-漏极距离为20 μm的情况下，实现了具有高达2 kV的高击穿电压值的正常关闭器件，这相当于平均击穿场值为1 MV/cm，而无需使用额外的场板端接结构。

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引用次数: 0

Development of self-powered PVDF based MEMS sensors for sound pressure level measurements 基于自供电PVDF的MEMS声压级测量传感器的开发

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

Materials Science in Semiconductor Processing

Pub Date : 2026-01-05 DOI: 10.1016/j.mssp.2025.110391

Mohini Sawane , Mahanth Prasad , Murugan S. , Velmurugan K.

The piezoelectric MEMS sensor's market is experiencing rapid expansion, driven by self-powered operation, compact form factors, and scalable manufacturing. A novel fabrication technique using minimized fabrication processes and clean room resources were developed to produce cost-effective, compact and lightweight sensors. Microtunnel and through-hole cavity are etched into a silicon substrate and sealed with glass via anodic bonding. A PVDF-based diaphragm is bonded at the front side using vacuum-assisted mounting. Designed and developed PVDF based sensor variants (ST501–ST503 and ST1201–ST1203) were benchmarked against a Brüel & Kjær 4944A reference microphone using a B&K 4292-L loudspeaker and Noise Generator Type 1405. Their output closely matched the calibrated reference microphone tested for 1/3rd octave frequency range from 125Hz to 2 kHz, indicating high accuracy and reproducibility. Overall, the fabricated sensors exhibit reliable SPL measurement performance comparable to industry-standard microphone.

压电MEMS传感器的市场正在经历快速扩张，受自供电操作，紧凑的外形因素和可扩展的制造驱动。利用最小化的制造工艺和洁净室资源，开发了一种新型的制造技术，以生产成本低、结构紧凑、重量轻的传感器。微隧道和通孔腔蚀刻在硅衬底上，并通过阳极键合用玻璃密封。使用真空辅助安装的pvdf基隔膜粘合在前部。设计和开发的基于PVDF的传感器变体（ST501-ST503和ST1201-ST1203）与使用B&；K 4292-L扬声器和1405型噪声发生器的br el &；K ær 4944A参考麦克风进行基准测试。它们的输出与校准的参考麦克风在1/3倍频频率范围内（125Hz至2khz）进行测试，显示出高精度和再现性。总体而言，制造的传感器具有可靠的声压级测量性能，可与行业标准麦克风相媲美。

引用次数: 0

Solution blow spun porous cobalt oxide nanofibers via cryogenic bath as oxygen evolution catalysts 低温浴液吹纺多孔氧化钴纳米纤维作为析氧催化剂

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

Materials Science in Semiconductor Processing

Pub Date : 2026-01-05 DOI: 10.1016/j.mssp.2025.110400

Maxwell F.L. Garcia , Luis C.C. Arzuza , Allan J.M. Araújo , Rafael A. Raimundo , Gelmires A. Neves , Daniel A. Macedo , Francisco J.A. Loureiro , Romualdo R. Menezes

Electrochemical water splitting (EWS) into hydrogen and oxygen is essential for clean energy and a sustainable future. However, the most significant obstacle is the several anode oxygen evolution reaction (OER) processes, which limit practical applications. Nanofibers are one-dimensional materials with a large surface area, making them ideal to produce electrodes. By adjusting their secondary morphology (porosity, roughness, or grooves), their catalytic properties can be improved. This work emphasizes the production of porous ceramic fibers by solution blow spinning (SBS) method in conjunction with a cryogenic bath and phase separation by freeze-drying. Co₃O₄ Cryo-SBS nanofibers enhance the OER properties by altering their surface morphology, creating more porosity for better access to active sites and improved surface reactivity. The significant performance of the cryogenic nanofibers required an overpotentials of η₁₀ = 320 mV in solution 1M KOH, whereas SBS-produced nanofibers typically require 353 mV for the same current density. At high current densities, Cryo-SBS nanofibers showed good performance for OER at an industrial scale. The overpotential values are like those of many metal oxides/hydroxides and reference materials like commercial IrO₂ and RuO₂. The results show that the modification of the nanofibers surface by freezing was effective in increasing the OER activity.

电化学水分解（EWS）为氢和氧是清洁能源和可持续未来的必要条件。然而，最大的障碍是几种阳极析氧反应（OER）工艺，这限制了实际应用。纳米纤维是一种具有大表面积的一维材料，使其成为制造电极的理想材料。通过调整它们的次级形态（孔隙度、粗糙度或凹槽），它们的催化性能可以得到改善。本文着重研究了用溶液吹丝法（SBS）结合低温浴和冷冻干燥相分离法制备多孔陶瓷纤维。Co3O4 Cryo-SBS纳米纤维通过改变其表面形态，创造更多孔隙以更好地进入活性位点和提高表面反应性来提高OER性能。低温纳米纤维在1M KOH溶液中的过电位要求为η10 = 320 mV，而sbs生产的纳米纤维在相同的电流密度下通常需要353 mV。在高电流密度下，Cryo-SBS纳米纤维在工业规模上表现出良好的OER性能。过电位值类似于许多金属氧化物/氢氧化物和参考材料，如商用IrO2和RuO2。结果表明，通过冷冻对纳米纤维表面进行改性可以有效地提高OER活性。

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引用次数: 0

Metal-free peroxymonosulfate activation for phenol degradation using selenium–nitrogen co-doped porous carbon nanosheets 硒-氮共掺杂多孔碳纳米片无金属过氧单硫酸盐活化降解苯酚

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

Materials Science in Semiconductor Processing

Pub Date : 2026-01-05 DOI: 10.1016/j.mssp.2025.110399

Fangzhou Wu , Yonglei Xing , Huijuan Liu , Xiaoyong Jin , Gang Ni

Peroxymonosulfate (PMS)–based advanced oxidation processes (AOPs) are promising for pollutant removal, whereas metal-doped carbons risk ion leaching. Here we report a metal-free selenium–nitrogen co-doped porous carbon (Se–N/C) that efficiently activates PMS for phenol (Ph) degradation. Selenium was chosen for its larger atomic radius and high polarizability, which modulate electronic structure and create active sites. Se–N/C achieved complete removal of parent Ph (Ph peak disappearance) within 10 min with a total organic carbon (TOC) reduction of 52 %, and a pseudo-first-order rate constant about twentyfold higher than nitrogen-doped carbon. Radical scavenging tests and electron paramagnetic resonance (EPR) confirm a dual pathway involving radical (O₂^•−) and non-radical (¹O₂) species. Density functional theory (DFT) indicates that co-doping tailors the electronic configuration, strengthens PMS adsorption (adsorption energy −3.07 eV), and enhances electron transfer. The catalyst remains active in the presence of common anions (SO₄²⁻, Cl⁻, NO₃⁻, and H₂PO₄⁻) and humic acid, evidencing environmental tolerance. X-ray photoelectron spectroscopy and Raman spectroscopy identify graphitic nitrogen and C–Se–C as key centers, while selenium's antioxidative character supports cycling stability. This work provides a scalable, environmentally benign route for wastewater treatment and clarifies structure–activity relationships in PMS activation.

过氧单硫酸盐（PMS）为基础的高级氧化工艺（AOPs）是有前途的污染物去除，而金属掺杂碳的风险离子浸出。在这里，我们报道了一种无金属硒-氮共掺杂多孔碳（Se-N /C），可以有效地激活PMS降解苯酚（Ph）。选择硒是因为其较大的原子半径和高极化率，可以调节电子结构并产生活性位点。Se-N /C在10 min内完全去除母体Ph （Ph峰消失），总有机碳（TOC）减少52%，伪一级速率常数比氮掺杂碳高约20倍。自由基清除试验和电子顺磁共振（EPR）证实了涉及自由基（O2•−）和非自由基（1O2）的双重途径。密度泛函理论（DFT）表明，共掺杂调整了电子构型，增强了PMS吸附（吸附能- 3.07 eV），增强了电子转移。该催化剂在常见阴离子（SO42−、Cl−、NO3−和H2PO4−）和腐植酸存在下仍保持活性，具有良好的环境耐受性。x射线光电子能谱和拉曼光谱鉴定石墨氮和C-Se-C为关键中心，而硒的抗氧化特性支持循环稳定性。这项工作为废水处理提供了一种可扩展的、环保的途径，并阐明了PMS活化中的结构-活性关系。

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引用次数: 0