Yifei Li , Pengxiang Hou , Shuangyuan Pan , Pin Wang , Weiwei Cheng , Jing Wang , Le Yu , Zheyang Li , Rui Jin
{"title":"Dislocations in 4H-SiC epilayers for power devices: Identification, formation, and regulation","authors":"Yifei Li , Pengxiang Hou , Shuangyuan Pan , Pin Wang , Weiwei Cheng , Jing Wang , Le Yu , Zheyang Li , Rui Jin","doi":"10.1016/j.mssp.2024.109147","DOIUrl":"10.1016/j.mssp.2024.109147","url":null,"abstract":"<div><div>4H-SiC is highly promising for modern electronics, particularly in high-temperature, high-frequency, and high-power applications. However, the presence of dislocations in 4H-SiC epilayers significantly affects the performance and reliability of 4H-SiC-based power devices, thus limiting their widespread application. This review provides an overview of the classification, fundamental properties, and inspection methods of dislocations in 4H-SiC epilayers. The mechanisms of dislocation nucleation, propagation, and conversion during epitaxial growth are presented. Furthermore, strategies to mitigate dislocations, with a particular focus on enhancing the efficiency of BPD-TED conversion, are comprehensively discussed. By offering insights into dislocation behavior in 4H-SiC epilayers, this review highlights the challenges and emerging directions in the study of dislocations.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"187 ","pages":"Article 109147"},"PeriodicalIF":4.2,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142706008","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}
Muhammad Yar Khan , Tariq Usman , Asif Ilyas , Arzoo Hassan , Umer Younis , Atta Ullah , Syed Awais Ahmad , Abdullah Al Souwaileh
{"title":"Electronic, optical, and magnetic properties of defect-engineered 1T-PdS2 monolayer: A first-principles investigation","authors":"Muhammad Yar Khan , Tariq Usman , Asif Ilyas , Arzoo Hassan , Umer Younis , Atta Ullah , Syed Awais Ahmad , Abdullah Al Souwaileh","doi":"10.1016/j.mssp.2024.109144","DOIUrl":"10.1016/j.mssp.2024.109144","url":null,"abstract":"<div><div>Based on first principles calculations, we scrutinized the impact of vacancies and doping on the electronic, magnetic, and optical properties of the 1T-PdS<sub>2</sub> monolayer. Our findings highlight the importance of noticeable behaviors arise by introducing different types of vacancies. Especially, a single palladium vacancy (V<sub>1Pd</sub>) transforms the semiconducting nature of 1T-PdS<sub>2</sub> into a semi-metallic nature, while sulfur vacancies (V<sub>1S</sub>, V<sub>2S</sub>), and a combination of palladium and sulfur vacancy (V<sub>1Pd+1S</sub>) maintain its semiconducting nature. The V<sub>1Pd</sub> and V<sub>1Pd+1S</sub> vacancies generate magnetic ground states with marvelous magnetic dipole moments of 4μ<sub>B</sub> and 2μ<sub>B</sub>, respectively, whereas the V<sub>1S</sub> and V<sub>2S</sub> defects provides nonmagnetic ground states. In addition, the defective 1T-PdS<sub>2</sub> monolayer presents amplified absorption efficiency in infrared region, proposing its potential applications in solar energy utilization. Most importantly, our defective system reveals red-shift phenomenon in the imaginary component of the dielectric function and absorption spectrum. These outstanding features suggests the applicability of defective 1T-PdS<sub>2</sub> monolayer for photovoltaic and optoelectronic applications.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"187 ","pages":"Article 109144"},"PeriodicalIF":4.2,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142705353","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}
Tongtong Zhang , Yuling Liu , Hongdong Zhao , Xiaodong Luan , Chong Luo
{"title":"The effects of α-sodium alkenesulfonate and alkylphenol polyoxyethylene ether phosphate on the inhibition of copper chemical mechanical polishing","authors":"Tongtong Zhang , Yuling Liu , Hongdong Zhao , Xiaodong Luan , Chong Luo","doi":"10.1016/j.mssp.2024.109145","DOIUrl":"10.1016/j.mssp.2024.109145","url":null,"abstract":"<div><div>In this work, α-sodium alkene sulfonate (α-AOS) and alkylphenol polyoxyethylene ether phosphate (APE-10P) were tested as environmentally friendly inhibitors in slurries to replace toxic benzotriazole. α-AOS and APE-10P can improve slurry dispersion, increase the inhibition efficiency to 79.6 % and polishing rate reduced to 8414 Å/min; Reduced corrosion and surface roughness decreased from 3.10 nm to 1.41 nm; By measuring the particle size of polishing solution, it has been proven that the addition of two active agents effectively improves the dispersion of the solution, reduces the distance between silica sol colloids, and reduces the particle size of silica sol from 71.5 nm to 68.5 nm; To verify the stability of the polishing solution, the Zeta potential of the polishing solution on the first day was −40.99 mV, and on the seventh day it was −36.6 mV, which can meet the stability requirements for at least seven days and meet industrial requirements. Calculation proves that APE-10P and α-AOS can spontaneously adsorb on Cu surfaces. This work focuses on the mechanism of inhibition in Cu CMP, which provides some inspirations for the development of environmentally friendly slurries.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"187 ","pages":"Article 109145"},"PeriodicalIF":4.2,"publicationDate":"2024-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142705352","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":"Unveiling role of exchange-correlation functions in investigating physical properties of CsMnCl3 perovskite for optoelectronic applications","authors":"Sidra Sabir , Shakeel Ahmad , Abdul Ghafar Wattoo","doi":"10.1016/j.mssp.2024.109138","DOIUrl":"10.1016/j.mssp.2024.109138","url":null,"abstract":"<div><div>Metal halide perovskites have garnered significant attention for their transformative applications in photovoltaics, optoelectronics, and photocatalysis. This study pioneers an in-depth examination of the structural, electronic, elastic, mechanical, and optical properties of CsMnCl<sub>3</sub> perovskite using GGA-PBE and GGA + U calculations with diverse exchange-correlation functionals (PBE, RPBE, PW91, WC, and PBEsol) within the CASTEP code. The structural parameters of CsMnCl<sub>3</sub> perovskite are substantially affected by the exchange-correlation function, particularly the lattice constants, which exhibit functional-dependent variations. The material demonstrates metallic properties under GGA-PBE, while it manifests semiconductor behavior with an indirect energy bandgap energy (R→G) under other functionals GGA + U with PBE, RPBE, PW91, WC, and PBEsol. Notably, the calculated energy bandgaps exhibit functional-specific variations: 1.956 eV (GGA + U-PBE), 2.041 eV (GGA + U-RPBE), 1.994 eV (GGA + U-PW91), 1.890 eV (GGA + U-WC), and 1.895 eV (GGA + U-PBEsol). The compound shows low reflectivity, a large absorption coefficient value, and good optical conductivity in the visible region. Moreover, the Born stability criterion suggests that material is mechanically stable, and ductile according to Poisson scale/Pugh's ratio. It has an anisotropic nature according to the anisotropy index. These exceptional results advocate its suitability for flexible optoelectronic applications.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"187 ","pages":"Article 109138"},"PeriodicalIF":4.2,"publicationDate":"2024-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142705350","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}
Diwei Shi , Jiexi Song , Yanqing Qin , Xinyu Chen , Shiyu Du
{"title":"High-throughput design and computational screening of PdBiSe-like equiatomic system with multi-fold fermions","authors":"Diwei Shi , Jiexi Song , Yanqing Qin , Xinyu Chen , Shiyu Du","doi":"10.1016/j.mssp.2024.109129","DOIUrl":"10.1016/j.mssp.2024.109129","url":null,"abstract":"<div><div>The PdBiSe-like structure material stands out as singular topological properties, characterized by its unique six-fold degenerate fermions. With the aim of exploring more topological materials of PdBiSe-like system, we embarked on thorough high-throughput screening and computational analysis of PdBiSe-like structures, utilizing first-principles calculations coupling the OQMD and MP Database. This meticulous process yielded 75 stable phases, 9 of which are previously discovered phases, while the remaining 66 represent hitherto unreported novel configurations. Notably, through intricate band structure calculations, we uncovered that 31 of these structures possess six-fold degenerate fermions at R high-symmetry points within reciprocal space. As a result, our high-throughput screening not only reconfirmed the 9 known PdBiSe-like topological materials but also unearthed 22 new topological quantum materials, recognized with six-fold degenerate fermion states proximate to the Fermi level, thereby expanding the topological material realm of PdBiSe-like system.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"187 ","pages":"Article 109129"},"PeriodicalIF":4.2,"publicationDate":"2024-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142705354","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}
Dhamodharan A , Jhansirani K , Perumal K , Yajun Gao , Huan Pang
{"title":"Room temperature analysis of vanillin and folic acid in food samples using a BiOBr/GCE sensor: An empathetic and efficient approach","authors":"Dhamodharan A , Jhansirani K , Perumal K , Yajun Gao , Huan Pang","doi":"10.1016/j.mssp.2024.109161","DOIUrl":"10.1016/j.mssp.2024.109161","url":null,"abstract":"<div><div>This study presents the development of an innovative sensor for detecting vanillin (VAN) in food samples containing folic acid (FA), an essential nutritional additive. Although these compounds offer significant health benefits, excessive consumption can lead to adverse effects, including VAN-induced allergic reactions and an increased risk of colorectal cancer associated with high levels of FA. This sensor addresses the critical need for precise quantification of VAN and FA in food samples, ensuring food safety and optimal nutritional balance. Biogenically synthesized BiOBr (BOB) nanostructures were efficiently immobilized on a glassy carbon electrode (GCE), exhibiting well-defined physical characteristics. The BOB/GCE sensor leverages the unique properties of both components to enhance its sensing capabilities. The BOB material increases the sensor's surface area, allowing for better adsorption of target molecules. Meanwhile, the BOB/GCE provides excellent electrical conductivity, facilitating efficient electron transfer. The sensor detects VAN and FA through electrochemical reactions, which occur when the target molecules interact with the BOB/GCE surface. This nanostructured platform was optimized for the rapid electrochemical detection of VAN and FA, offering a broad linear response range and a notably low detection limit (LOD). Linear calibration curves were obtained for VAN (4.3–113 μM) and FA (5.6–96.5 μM), with impressive detection limits of (0.057 μM and 0.068 μM) respectively. Anti-interference tests and real-sample analyses confirmed the material's potential for developing advanced electrochemical sensors. The BOB/GCE is ideally suited for real-time sensing in food applications, with recovery values validated against HPLC standards to ensure precision and accuracy.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"187 ","pages":"Article 109161"},"PeriodicalIF":4.2,"publicationDate":"2024-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142705349","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":"Utilizing the carbon nano-belt (8-CNB) loaded late second-row transition metal (TM) single-atom catalysts for hydrogen and oxygen evolution during water electrolysis","authors":"Abdulrahman Allangawi , Shimna Biju , Remabai Balachandran , Khurshid Ayub , Mazhar Amjad Gilani , Muhammad Imran , Tariq Mahmood","doi":"10.1016/j.mssp.2024.109139","DOIUrl":"10.1016/j.mssp.2024.109139","url":null,"abstract":"<div><div>Production of high purity of hydrogen and oxygen via water electrolysis is setback by the high overpotential associated with water splitting. In this regard, herein the use of late second-row transition metal (TM) doped carbon nano-belt (8-CNB) as single atom catalysts for water electrolysis is investigated via density functional theory (DFT) calculations. The unique unsaturated belt-shaped structure of 8-CNB introduces functional sites that are suitable for TM anchoring. As such, the designed catalysts have shown high stability. The high stability was found to originate from the chemisorption of the metals to the support, as confirmed by the quantum theory of atoms in molecules (QTAIM) analysis. Moreover, the doped structures have shown low frontier molecular orbitals gap (HOMO-LUMO E<sub>gap</sub>) values, indicating sufficient electrical conductivities, which is desirable in water electrolysis to facilitate the transfer of electrons. Furthermore, the catalytic activity results have shown that the Ru@8-CNB and Rh@8-CNB systems are highly active towards the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), respectively. Results have shown that Ru@8-CNB exhibits a low Δ<em>G</em><sub>H</sub> value of 0.12 eV towards the HER, while Rh@8-CNB revealed a low overpotential value of 0.63 V towards the OER. The proposed SACs have catalytic activities that are competitive to the highly active Pt(III) catalyst and they are advantageous in their high atom percentage efficiency as SACs.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"187 ","pages":"Article 109139"},"PeriodicalIF":4.2,"publicationDate":"2024-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142705351","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}
Chenwei Dai , Qihui Cheng , Qing Miao , Zhen Yin , Ming Zhang , Jiajia Chen
{"title":"Experimental analysis and low-damage machining strategy for composite ultrasonic vibration-assisted grinding of silicon carbide based on DA-MLP-NSGA-II algorithm","authors":"Chenwei Dai , Qihui Cheng , Qing Miao , Zhen Yin , Ming Zhang , Jiajia Chen","doi":"10.1016/j.mssp.2024.109146","DOIUrl":"10.1016/j.mssp.2024.109146","url":null,"abstract":"<div><div>At present, because of the lack of ultrasonic composite vibration assisted grinding mechanism, neural network optimization algorithm (NNOA) is used to optimize the processing results. In NNOA, multi-layer perceptron (MLP) neural network model and non-dominated sorting genetic algorithm-II (NSGA-II) are very efficient and accurate methods. In this paper, based on the measurement and analysis of the specific ultrasonic vibration device, the CUVAG experiments on silicon carbide (SiC) ceramic were carried out to investigate the influence of processing parameters on the grinding forces, the ground surface roughness and morphology, and the subsurface damage. Then, the brittle-ductile removal behavior of hard-and-brittle materials could be revealed according to the above analysis. After that, MLP model and NSGA-II were utilized to predict and optimize the processing results in CUVAG. The results show that the grinding forces are basically constant, the surface quality deteriorates, and the subsurface damage increases with increased axial vibration amplitude and workpiece infeed speed, but all fluctuate with enlarged wheel speed, and turns at the inflection point of brittle-ductile transition with increased elliptic vibration amplitude. The fitting goodness <em>R</em><sup>2</sup> of the established MLP neural network prediction model is between 0.94 and 0.975, and the process parameters calculated by the NSGA-II optimization algorithm are verified. With optimized processing parameters, the grinding forces are reduced by about 13 %, the surface roughness is reduced to Ra0.037 μm (by 29 %), and the depth of subsurface damage is reduced by 68 %.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"187 ","pages":"Article 109146"},"PeriodicalIF":4.2,"publicationDate":"2024-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142705347","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":"Ag2O-supported FePO4 heterojunctions: Facile fabrication and fast visible-light carbon dioxide photoreduction into methanol with superb recyclability","authors":"Gamal Hassan Sewify , Soliman I. El-Hout","doi":"10.1016/j.mssp.2024.109160","DOIUrl":"10.1016/j.mssp.2024.109160","url":null,"abstract":"<div><div>The conversion of carbon dioxide (CO<sub>2</sub>) into clean fuels using semiconductor materials represents a sustainable and environmentally advantageous approach to energy generation. Extensive research is underway to develop robust and enduring photocatalysts for this purpose. This research focused on the synthesis of visible-light-responsive 1.0–4.0 wt% Ag<sub>2</sub>O-decorated FePO<sub>4</sub> (FPO) nanocomposites using a surfactant-assisted sol-gel method and evaluated their ability to catalyze the photoconversion of CO<sub>2</sub> into methanol. The addition of trace amounts of Ag<sub>2</sub>O expanded their visible-light absorption range, improved charge isolation, and enhanced mobility of photoexcited charges. This resulted in a bandgap reduction from 3.14 eV in pure FPO to 1.98 eV. Additionally, the surface structure examination revealed the production of mesoporous nanocomposites with a surface area ranging from 103 to 119 m<sup>2</sup>/g. Furthermore, a controlled dosage of 3 % Ag<sub>2</sub>O-FPO at 1.6 g/L produced CH<sub>3</sub>OH with a yield of 1612 μM g<sup>−1</sup> after 9 h of illumination, approximately 2.2 times higher than the pure FPO. This stable and reusable heterojunction maintains 94 % of its initial performance after 5 cycles. This research highlights the potential of phosphates-based heterojunctions for producing sustainable fuels under visible illumination conditions.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"187 ","pages":"Article 109160"},"PeriodicalIF":4.2,"publicationDate":"2024-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142705348","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}
Dani George , H.R. Chandan , R. Shwetharani , M. Faisal , Jahir Ahmed , Farid A. Harraz , R. Geetha Balakrishna
{"title":"Understanding graphyne; theoretical insights and its optoelectronic behaviour","authors":"Dani George , H.R. Chandan , R. Shwetharani , M. Faisal , Jahir Ahmed , Farid A. Harraz , R. Geetha Balakrishna","doi":"10.1016/j.mssp.2024.109113","DOIUrl":"10.1016/j.mssp.2024.109113","url":null,"abstract":"<div><div>Two-dimensional Graphynes (GYs) exhibit extraordinary properties, owing to the highly conjugated doubly and triply bonded carbon atoms in the hexagonal lattice. Recently, γ-GYs have attracted tremendous interest due to its exciting electrical and optical properties and it is necessary to comprehend these properties for future research in this field. This review focus on discussing the fundamental chemistry of the combination of <em>sp</em> and <em>sp</em><sup>2</sup> hybridization in GYs that contributes to its unique properties, particularly opto electrochemical properties of GYs. A detailed track record against a set of properties for developing efficient GYs based materials will help us look ahead in the right direction. The theoretical analysis of the electronic band structure of GYs, stability in relation to <em>sp</em> hybridization, experimental techniques used to tune their optical bandgap, and to improve mobility and carrier lifetimes, are covered in this review. The review then lists the merits of using GYs in various photo and electrochemical applications. Finally, current difficulties and future prospects for using these materials for the specified purpose are discussed.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"187 ","pages":"Article 109113"},"PeriodicalIF":4.2,"publicationDate":"2024-11-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142706007","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}