Materials Science in Semiconductor Processing最新文献

{"title":"Micrometric Co3O4/ZIF-67 with high toluene detection capability","authors":"Fabiola C. Paciencia ,&nbsp;Reinaldo dos S. Theodoro ,&nbsp;Gustavo S.M. Santos ,&nbsp;Tarcísio M. Perfecto ,&nbsp;Diogo P. Volanti","doi":"10.1016/j.mssp.2025.109459","DOIUrl":"10.1016/j.mssp.2025.109459","url":null,"abstract":"<div><div>Environmental monitoring has increasingly focused on detecting volatile organic compounds (VOCs), especially toluene, as these substances pose significant environmental and human health risks. Our research demonstrates the fabrication of microscale Co₃O₄, a <em>p</em>-type semiconductor material, synthesized through a two-step process combining microwave-assisted hydrothermal synthesis and subsequent calcination. Given the inherent low sensitivity and selectivity of <em>p</em>-type metal oxide semiconductor (MOS) sensors, we explored strategies to enhance the selectivity and sensitivity of <em>p</em>-type MOS under diverse sensing conditions, including varying temperatures and humid environments. The VOC detection performance of Co₃O₄ was improved by adding a metal-organic framework, ZIF-67. The Co₃O₄/ZIF-67 composite was prepared using the reflux method. The sensor demonstrated enhanced detection capabilities compared to pure Co₃O₄, as evidenced by the Co₃O₄/ZIF-67 composite exhibiting the highest response (61.22) to 100 ppm of toluene at 250 °C, with a high selectivity index (5.43). In contrast, the Co₃O₄ sensor responded 20.05 to toluene, with a relatively low selectivity index (2.86) at 250 °C. Therefore, the incorporation of ZIF-67 resulted in an enhancement of the sensor's response and selectivity. Furthermore, the sensor demonstrated satisfactory performance at various controlled relative humidities. The micro-sized Co₃O₄/ZIF-67 demonstrates significant potential as an effective material for low-temperature toluene detection, a crucial capability for monitoring environmental conditions and protecting human health.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"192 ","pages":"Article 109459"},"PeriodicalIF":4.2,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143592230","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}

{"title":"First principles study on the electronic and optical properties of Yb and La doped diamond","authors":"Weiyin Li ,&nbsp;Meng Wang ,&nbsp;Hao Feng ,&nbsp;Ruiyong Shang ,&nbsp;Chao Yang ,&nbsp;Longcan Cheng ,&nbsp;Tongli Wei","doi":"10.1016/j.mssp.2025.109457","DOIUrl":"10.1016/j.mssp.2025.109457","url":null,"abstract":"<div><div>The La and Yb doped diamond electronic and optical properties have been investigated through first-principles density functional theory calculations. The findings reveal that the face-centered doping of Yb and La in diamonds results in the most stable energy configurations compared to vertex doping or internal doping. The bandgap widths of these doped systems are reduced from 5.29 eV of pristine diamond to 0.92 eV for Yb and 1.89 eV for La, respectively. Both magnetic moments of La doped and pure diamond are zero, while Yb doped diamond exhibits a magnetic moment of 2.1 μ_B. The static dielectric constant, optical absorption edge, static refractive index, and energy loss features of intrinsic diamond are markedly altered upon doping with La and Yb. Specifically, the static dielectric constants escalate from 4.18 to 43.8 and 71.7 for Yb and La doping, respectively. The optical absorption edges undergo a red shift, while the static refractive indices increase from 2 to 2.5 and 5.5 for La and Yb doping, respectively. Additionally, the peak positions of the energy loss shift from 7.5 eV to 1.8 eV and 3.0 eV for La and Yb doping, respectively. These insights lay a theoretical foundation for the broad applications of diamonds in various fields.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"192 ","pages":"Article 109457"},"PeriodicalIF":4.2,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143592229","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}

{"title":"Interfacial engineering to boost photocatalytic hydrogen evolution via synergistic Z-scheme heterojunction in novel n-type metal free NiCoV-LDH/g-C3N4 composite","authors":"Muhammad Usman ,&nbsp;Akawat Sirisuk","doi":"10.1016/j.mssp.2025.109454","DOIUrl":"10.1016/j.mssp.2025.109454","url":null,"abstract":"<div><div>Fabrication of low cost, highly effective, noble metal free, thermally and chemically stable photocatalyst and alkaline water electrocatalyst with the wide pH range is posing a significant challenge in the hydrogen evolution reaction from water splitting to resolve the worldwide energy issues. In this study we have designed a novel n-type 2D semiconductor NiCoV-LDH/g-C₃N₄ (LCN) composite with easy one-step hydrothermal method. Morphological results proved that in situ NiCoV-LDH lamellar sheets were deposited uniformly on g-C₃N₄ support, resulting in larger electrochemical active surface area and enhanced photo/electrocatalytic hydrogen evolution rate (HER). Furthermore, the LCN with 15 % loading of g-C₃N₄ (LCN-15) composite exhibited the highest photocatalytic hydrogen evolution rate of 1673.4 <span><math><mrow><msup><mrow><mi>μ</mi><mtext>mol</mtext><mspace></mspace><mi>g</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup></mrow></math></span>, representing a 27.93-fold enhancement compared to that of bare CN at 59.9 <span><math><mrow><msup><mrow><mi>μ</mi><mtext>mol</mtext><mspace></mspace><mi>g</mi></mrow><mrow><mo>−</mo><mn>1</mn></mrow></msup><mtext>.</mtext></mrow></math></span> The improved photocatalytic activity of LCN-15 composite was attributed to (1) enhanced surface area with a large number of active sites, (2) slow formation of NiCoV-LDH precipitates leading to the fabrication of successful composite material with the g-C₃N₄, and (3) development of Z-scheme heterojunction, which effectively reduced the recombination rate of photogenerated charge carriers. Furthermore, the electrocatalytic HER performance for LCN-15 composite achieved a current density of −135.86 <span><math><mrow><msup><mrow><mtext>mA</mtext><mspace></mspace><mtext>cm</mtext></mrow><mrow><mo>−</mo><mn>2</mn></mrow></msup></mrow></math></span>, which was about 10 times greater than that for bare CN. Moreover, LCN-15 composite exhibited excellent stability during repeated usage for both photocatalytic activities. Thus, this study presented a successful development of NiCoV-LDH/g-C₃N₄ (LCN) composite structures for enhanced photo/electrocatalytic hydrogen evolution.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"192 ","pages":"Article 109454"},"PeriodicalIF":4.2,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143580144","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}

{"title":"Design of the amorphous/crystalline TiO2 nanocomposites via machine learning for photocatalytic applications","authors":"Selim Demirci ,&nbsp;Durmuş Özkan Şahin ,&nbsp;Sercan Demirci","doi":"10.1016/j.mssp.2025.109460","DOIUrl":"10.1016/j.mssp.2025.109460","url":null,"abstract":"<div><div>The ability to adjust the phase composition in titanium dioxide (TiO₂) structures is crucial for customizing their properties to fit various applications. However, traditional approaches struggle to accurately forecast and regulate the balance between amorphous and crystalline phases within these materials. Here, we introduced an innovative method, utilizing machine learning (ML) techniques, to predict and classify the ratio of amorphous to crystalline phases in TiO₂ nanocomposites based on thermogravimetric analysis (TGA) data. Non-isothermal TGA experiments were conducted at heating rates of 1 °C/min, 5 °C/min, 10 °C/min, and 20 °C/min to obtain dataset. Various ML algorithms including Adaboost, Decision Trees (DT) Regression, Gaussian Process Regression (GPR), k-Nearest Neighbor Regression (KNN), Linear Regression (LR), Multi-Layer Perceptron (MLP), Random Forest Regression (RF), Support Vector Machine Regression (SVM) and XGBoost (XGB) were employed. The performances of models were evaluated by the R-squared (<span><math><mrow><msup><mi>R</mi><mn>2</mn></msup></mrow></math></span>), root mean square error (RMSE) and mean absolute error (MAE) metrics for training and test data. Among these, GPR, KNN, RF, and XGB emerged as the top-performing algorithms, with GPR achieving an exceptional R² value of 0.999 and the lowest error rates (RMSE: 2 × 10⁻⁴, MAE: 2.4 × 10⁻⁵). Thus, GPR was identified as the most successful regression model. As for classification part, the XGB algorithm achieved the highest accuracy of 99.9 % with DT, RF, and XGB also excelling in True Positive Rate (TPR) and False Positive Rate (FPR) metrics. These findings highlight the potential of ML techniques in optimizing phase composition prediction and classification for TiO₂ nanocomposites, thereby reducing timescales, cost, and rigorous calculations.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"192 ","pages":"Article 109460"},"PeriodicalIF":4.2,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143580145","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}

{"title":"Design and mechanistic insights into Ti-oxo Cluster/CdS Z-type heterojunctions for enhanced photocatalytic water splitting","authors":"Yong-Fei Li ,&nbsp;Heng-Yi Wang ,&nbsp;Hua Yang ,&nbsp;Ling-Qian Kong ,&nbsp;Ming-Yu Dou ,&nbsp;Yu Cui ,&nbsp;Jian-Min Dou","doi":"10.1016/j.mssp.2025.109453","DOIUrl":"10.1016/j.mssp.2025.109453","url":null,"abstract":"<div><div>The construction of Z-type heterojunction and the development of the multiple electron transfer pathways can effectively enhance the photocatalytic activity by promoting the separation of electron-hole (<em>e</em>^<em>-</em><em>/h</em>⁺) pairs and inhibiting their recombination. In this study, a Z-type Ti-oxo cluster/CdS heterojunction was successfully constructed, exhibiting high-density electron aggregation on the Ti-O metal ring and achieving remarkable separation of <em>e</em>^<em>-</em><em>/h</em> ⁺ pairs. The results demonstrated that CdS nanorods closely adhered to the surface of the Ti-oxo cluster, forming an ohm contact between the two components and a Z-type heterojunction that facilitated efficient separation of photogenerated <em>e</em>^<em>-</em><em>/h</em> ⁺ pairs during photocatalytic HER. The optimized Ti-oxo cluster/CdS-4 composite exhibited excellent photocatalytic HER activity of 1307.125 μmol h⁻¹ g⁻¹ under visible light irradiation, which was 5.4 times and 195.18 times higher than those of pure CdS and Ti-oxo cluster, respectively. A series of optical measurements revealed that the Z-type heterojunction significantly enhanced the separation of photogenerated <em>e</em>^<em>-</em><em>/h</em> ⁺ pairs, thereby improving photocatalytic HER performance. Based on experimental results and density functional theory (DFT) calculations, a possible photocatalytic mechanism was proposed. The DFT analysis indicated that high-density electron aggregation on the Ti-O metal ring promoted the interaction between electrons and protons, thereby enhancing photocatalytic HER activity.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"192 ","pages":"Article 109453"},"PeriodicalIF":4.2,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143592228","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}

{"title":"Investigation of optoelectronic and thermoelectric characteristics of Tl2Os(Cl/Br)6 double perovskites for renewable energy applications","authors":"Ghulam M. Mustafa ,&nbsp;Bisma Younas ,&nbsp;Muhammad Waseem ,&nbsp;Ateeq-ur-Rehman ,&nbsp;N.A. Noor ,&nbsp;Khalid M. Elhindi ,&nbsp;Sohail Mumtaz","doi":"10.1016/j.mssp.2025.109420","DOIUrl":"10.1016/j.mssp.2025.109420","url":null,"abstract":"<div><div>Half-metallicity is a promising feature for burgeoning spintronic devices, prompting investigators to explore suitable materials for advancing existing technology. This study delves into the impact of Os d-electrons on the half-metallic ferromagnetic behavior of double perovskites with composition Tl₂Os (Cl/Br)₆, aiming to elucidate their potential for spintronic devices. The structural, electronic, magnetic, and transport responses are comprehensively investigated utilizing the WIEN2k package. The incorporation of Br at Cl site causes the expansion of unit cell from 9.80 to 10.37 Å, reduction of bulk modulus from 50.27 to 41.38 GPa, and formation energy of −9.33 and −7.89 eV for Tl₂OsCl₆ and Tl₂OsBr₆, respectively. The high Curie temperature of 552 and 518 K witness their above-room-temperature viability for device fabrication. Insights into half-metallicity are established from band structures and DOS analysis. The phenomenon of half-metallic ferromagnetism is elucidated through exchange constants and a double exchange mechanism. Furthermore, various thermoelectric performance parameters, including electrical conductivity (σ), thermal conductivity due to electron (κ_e), the seeback coefficient (S), susceptibility (χ), power factor (PF), and figure of merit (ZT) are meticulously calculated. This comprehensive exploration sheds light on the potential of Tl₂Os(Cl/Br)₆ for spintronic applications, underscoring their utilization in emerging technologies.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"192 ","pages":"Article 109420"},"PeriodicalIF":4.2,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143580142","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}

{"title":"Electrical properties of doped silicon without P-N junction using micro-mesa shrinking patterns and differential Hall effect metrology","authors":"Cheng-Yi Yang ,&nbsp;Chia-He Chang ,&nbsp;YewChung Sermon Wu ,&nbsp;Kun-Lin Lin ,&nbsp;Abhijeet Joshi ,&nbsp;Bulent M. Basol","doi":"10.1016/j.mssp.2025.109446","DOIUrl":"10.1016/j.mssp.2025.109446","url":null,"abstract":"<div><div>Phosphorus (P) doped into n-type and p-type silicon (Si) yielded sample structures with and without a P-N junction. These samples were employed to evaluate electrical properties such as carrier dose, mobility, and sheet resistance using test patterns of various sizes for Differential Hall Effect Metrology (DHEM) measurements. Doped samples without P-N junctions provided inaccurate results compared to those with P-N junctions due to current leakage issues when standard mm-size patterns were used. The active ratio was found to be 57.4 % for samples with P-N junctions but it decreased significantly to 3.7 % for samples without the P-N junctions. Similarly, in DHEM depth profiles employing the standard size test pattern, the active ratio was 70.7 % for P-N junction samples and dropped to 3.7 % for those without. Using the micro-mesa shrinking test pattern, with mesa structures smaller than 25 μm in length, enabled accurate measurements of doped samples without P-N junctions. The electrical current depth was determined to be approximately 25–31 nm for P-doped n- and p-Si with a dose of ∼2E+15 atoms/cm² after RTA annealing. This study demonstrates that the combination of micro-mesa shrinking patterns and DHEM can reliably measure and evaluate the electrical properties of doped samples without P-N junctions.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"192 ","pages":"Article 109446"},"PeriodicalIF":4.2,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143580143","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}

{"title":"Thermocompression wafer-level 3-inch InP/SiO2/Si Heterobonding for optoelectronic integrations","authors":"Ruyan Kang ,&nbsp;Zehan Liu ,&nbsp;Jian Zhou ,&nbsp;Xiaoshan Wang ,&nbsp;Xueyi Duan ,&nbsp;Xiaoxuan Li ,&nbsp;Jia Zhao ,&nbsp;Zhiyuan Zuo","doi":"10.1016/j.mssp.2025.109450","DOIUrl":"10.1016/j.mssp.2025.109450","url":null,"abstract":"<div><div>Driven by the urgent demand for advancements in silicon-based optoelectronics, this study achieved high-quality heterojunction integration of 3-inch InP, SiO₂, and Si materials, addressing the significant 8.1 % lattice mismatch between InP and Si. Utilizing thermocompression bonding of surfaces contacted in a liquid solution, the study achieved an effective bonding area of 89.4 % and a bonding strength of 8.7 MPa for InP/Si wafers under experimental conditions of 300 °C, 500 N pressure, and 0.1 MPa vacuum, Using a two-step surface activation method, the plasma and RCA surface activation mechanisms and defect induction analysis were elaborated in detail. The systematic investigation into the effects of vacuum, pressure, and temperature on bonding area and strength elucidated the underlying mechanisms. High-resolution transmission electron microscopy (HRTEM) analysis provides a visual analysis of the bonding interface, including the influence of different growth methods on the morphology of SiO₂, analysis of interface point defects and dislocations, and the insight into the lattice strain, Hooke's law helps to calculate the residual stress at the interface, overcoming the key challenge of heterogeneous bond interface stress measurement. The calculated residual stress of InP/SiO₂ interface is 109.91 MPa, and the residual stress of Si/SiO₂ interface is 125.98 MPa, which ensures the high reliability of the device. Wafer bonding increases the design flexibility of heterogeneous materials and provides a manufacturing approach for heterogeneous integrated laser diode (LD) chips. This work opens up a wide range of possibilities for the development of high-performance wafer-level III-V/SOI hybrid integrated devices.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"192 ","pages":"Article 109450"},"PeriodicalIF":4.2,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143580138","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}

{"title":"Reversible isotropic strain and huge volume change in the all-d-metal Heusler alloys Mn2NiTi","authors":"Rui Cai ,&nbsp;Zhiyang Wei ,&nbsp;Hongjie Ren ,&nbsp;Xinyu Zhang ,&nbsp;Hanyang Qian ,&nbsp;Xiang Lu ,&nbsp;Jian Liu ,&nbsp;Guowei Li","doi":"10.1016/j.mssp.2025.109445","DOIUrl":"10.1016/j.mssp.2025.109445","url":null,"abstract":"<div><div>All-<em>d</em>-metal Heusler ferromagnetic shape memory alloys such as Ni₂MnTi and Mn₂NiTi, composed entirely of transition metals, have attracted considerable attention for their significant volume change and substantial transformation latent heat, positioning them as ideal candidates for solid-state refrigeration and shape memory applications. However, the weak <em>d</em>-<em>d</em> covalent hybridization results in a broad martensitic transformation (MT) range and considerable hysteresis, complicating phase transformation control. We addressed these challenges by developing a dual-phase structure in Mn₅₀Ni_{50-<em>x</em>}Ti_<em>x</em> alloys (<em>x</em> = 11.0 to 14.5) through systematic optimization of heat treatment conditions. The secondary γ phase provides nucleation sites, promoting MT, and serves as a buffer, absorbing local elastic energy and mitigating plastic deformation of the main phase during the MT. This adjustment reduced the transformation range to 23.9 K and decreased the hysteresis to just 14.0 K for the <em>x</em> = 14.5 alloy. This strategy was also applied to the <em>x</em> = 12.5 alloy, which undergoes MT near room temperature. In-situ digital image correlation (DIC) strain measurements indicate that strain distribution in the <em>x</em> = 12.5 alloy during thermally induced reversible MT is heterogeneous at the local level but isotropic at the macroscopic level. The reversible isotropic strain recorded was −6960 ppm, corresponding to a volume change of −2.06 % and an entropy change of 57.5 J kg⁻¹ K⁻¹, associated with MT. Our findings underscore the pivotal role of exploiting the unique dual-phase structure in all-<em>d</em>-metal Heusler alloys, providing a novel approach for applications in solid-state refrigeration and energy conversion.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"192 ","pages":"Article 109445"},"PeriodicalIF":4.2,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143580136","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}

{"title":"Phase transformation from α-Bi2O3 needles to petal-shaped β-Bi2O3 nanoparticles via ball milling for boosted photocatalytic activity of rhodamine B dye","authors":"Divya Janardhana,&nbsp;Shivaramu Nagarasanakote Jayaramu,&nbsp;Harris Richard Anthony,&nbsp;Hendrik C. Swart","doi":"10.1016/j.mssp.2025.109455","DOIUrl":"10.1016/j.mssp.2025.109455","url":null,"abstract":"<div><div>Tetragonal bismuth oxide (β-Bi₂O₃) is regarded as a promising heterogeneous photocatalyst for the degradation of organic dye molecules in polluted water, owing to its high surface area, wide absorption band edge, effective exciton separation, and abundant oxygen vacancies. Here, we propose a phase transformation from needle-shaped monoclinic (α) Bi₂O₃ to petal-shaped β-Bi₂O₃ nanoparticles through a ball milling process. The α-Bi₂O₃ and β-Bi₂O₃ materials were extensively characterized through various techniques to investigate their structural, morphological, surface chemicals, and optical properties. X-ray powder diffraction (XRPD), high-resolution transmission electron microscopy (HR-TEM), and selected-area electron diffraction (SAED) patterns reveal that the ball-milled α-Bi₂O₃ has a polycrystalline structure and identify the (201) and (101) planes, which correspond to the β-Bi₂O₃ phase. The Tauc plot yields band gaps of 2.9 eV for α-Bi₂O₃ and 2.5 eV for β-Bi₂O₃. Furthermore, β-Bi₂O₃ exhibited a broad absorption band from UV to 540 nm. This finding suggests that β-Bi₂O₃ has an enhanced ability to absorb UV–visible light, thereby improving photon utilization efficiency. The petal-shaped β-Bi₂O₃ nanoparticles demonstrated improved UV–visible light absorption, enhanced charge carrier separation, and superior photocatalytic properties. The petal-shaped β-Bi₂O₃ nanoparticles exhibited excellent photocatalytic activity for the degradation of Rhodamine B in aqueous phase under UV–visible light and solar simulator irradiation. Notably, the β-Bi₂O₃ system achieved 97 % degradation in 75 min under UV–visible light and 91 % degradation in 150 min under the solar simulator. Both catalytic reactions followed pseudo-first-order kinetics, with kinetic constants (k) registering at 8.7 ± 0.6 × 10⁻³ and 48.1 ± 4.7 × 10⁻³ min⁻¹ for Rhodamine B (RhB) under UV–vis light. Additionally, by expanding the number of reactive sites and oxygen vacancies, the catalyst's large surface area boosted electron-hole separation and its photocatalytic performance.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"192 ","pages":"Article 109455"},"PeriodicalIF":4.2,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143580141","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}