Pub Date : 2024-11-27DOI: 10.1016/j.mssp.2024.109167
Junqing Wen , Mengqian Shi , Guoxiang Chen , Si Li
In this paper, the electronic, magnetic and optical properties of nonmetal elements doping BL-CdS systems are calculated by DFT + U. The stable structures of nonmetal elements doping BL-CdS are obtained by calculating Ef. The analysis of electronic structures indicates that BL-CdS is semiconductor with direct band gap 2.56eV. The 2B@2S and 2C@2S systems exhibit semiconductor characteristics. B@S, C@S, N@S and 2N@2S systems present magnetic semiconductor properties and magnetism mainly comes from the spin polarization of impurity atoms. Cd atoms lose electrons, S and impurity atoms get electrons. With increase in the number of impurity atoms, number of electrons obtained is gradually increasing. The work function of BL-CdS is 6.26eV. B@S and 2C@2S have the smaller work function, indicating that two systems have higher electron mobility. The calculation of optical properties shows that BL-CdS has good photoelectric properties in visible light and the doping systems have better photoelectric properties in ultraviolet region or infrared region. ML-CdS, BL-CdS, 2B@2S systems show high performance of photocatalytic water splitting. The research results provide ideas for nano-spintronic devices and photodetectors.
{"title":"Study on the photoelectric and electromagnetic properties of nonmetal elements X(X=B, C, N) doping bilayer CdS","authors":"Junqing Wen , Mengqian Shi , Guoxiang Chen , Si Li","doi":"10.1016/j.mssp.2024.109167","DOIUrl":"10.1016/j.mssp.2024.109167","url":null,"abstract":"<div><div>In this paper, the electronic, magnetic and optical properties of nonmetal elements doping BL-CdS systems are calculated by DFT + U. The stable structures of nonmetal elements doping BL-CdS are obtained by calculating <em>E</em><sub><em>f</em></sub>. The analysis of electronic structures indicates that BL-CdS is semiconductor with direct band gap 2.56eV. The 2B@2S and 2C@2S systems exhibit semiconductor characteristics. B@S, C@S, N@S and 2N@2S systems present magnetic semiconductor properties and magnetism mainly comes from the spin polarization of impurity atoms. Cd atoms lose electrons, S and impurity atoms get electrons. With increase in the number of impurity atoms, number of electrons obtained is gradually increasing. The work function of BL-CdS is 6.26eV. B@S and 2C@2S have the smaller work function, indicating that two systems have higher electron mobility. The calculation of optical properties shows that BL-CdS has good photoelectric properties in visible light and the doping systems have better photoelectric properties in ultraviolet region or infrared region. ML-CdS, BL-CdS, 2B@2S systems show high performance of photocatalytic water splitting. The research results provide ideas for nano-spintronic devices and photodetectors.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"187 ","pages":"Article 109167"},"PeriodicalIF":4.2,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142723939","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}
Pub Date : 2024-11-27DOI: 10.1016/j.mssp.2024.109164
S. Suganya , M. Aparna , G. Janani , S. Sambasivam , Aboud Ahmed Awadh Bahajjaj , Fen Ran , S. Sudhahar
In this work, the two-dimensional Bi2S3-rGO nanocomposites have been successfully prepared through facile hydrothermal-assisted ultrasonication technique. The synthesized samples have been characterized for XRD, Raman, FESEM, EDX, HRTEM, SAED, XPS, and BET studies for studying their structure, vibrations, morphologies, purity, and chemical states. The CV analysis have been studied for fabricated Bi2S3 and Bi2S3-rGO NCs electrodes in three-electrode technique, in which the Bi2S3-rGO NCs electrode exhibits 247.8 C/g of excellent specific capacities in contrast to Bi2S3 electrode (76.0 C/g) at the appropriate scan rate of 10 mV/s, due to the synergistic effects of both Bi2S3 and rGO in hybrid electrode. The Bi2S3-rGO NCs electrode shows 296.7 C/g of total (, 171.6 C/g of inner (, and 125.0 C/g of outer ( specific capacities from Trasatti analysis. The EIS study provides the Rs and Rct values of 0.65 and 1.30 Ω for Bi2S3-rGO NCs electrode, suggesting their good ion transportation characteristics. Also, the cyclic stability has been studied for Bi2S3-rGO NCs electrode and it provides 84.03 % of good capacitive retention and 104.31 % of coulombic efficiency over 3000 cycles. Additionally, the hybrid supercapacitor device (HSC) of Bi2S3-rGO//AC has been fabricated, which shows 110.1 C/g of specific capacity, 25.8 Wh/kg of energy density (), and 844.9 W/kg of power density () at 1 A/g current density. Further, the fabricated device exhibits 86.3 % better capacitive retention and a coulombic efficiency () of 100.1 % at the current density of 10 A/g over 10,000 GCD cycles.
{"title":"Fabrication of cathode Bi2S3-rGO nanocomposites electrode for hybrid supercapacitors to enhance the energy storage properties","authors":"S. Suganya , M. Aparna , G. Janani , S. Sambasivam , Aboud Ahmed Awadh Bahajjaj , Fen Ran , S. Sudhahar","doi":"10.1016/j.mssp.2024.109164","DOIUrl":"10.1016/j.mssp.2024.109164","url":null,"abstract":"<div><div>In this work, the two-dimensional Bi<sub>2</sub>S<sub>3</sub>-rGO nanocomposites have been successfully prepared through facile hydrothermal-assisted ultrasonication technique. The synthesized samples have been characterized for XRD, Raman, FESEM, EDX, HRTEM, SAED, XPS, and BET studies for studying their structure, vibrations, morphologies, purity, and chemical states. The CV analysis have been studied for fabricated Bi<sub>2</sub>S<sub>3</sub> and Bi<sub>2</sub>S<sub>3</sub>-rGO NCs electrodes in three-electrode technique, in which the Bi<sub>2</sub>S<sub>3</sub>-rGO NCs electrode exhibits 247.8 C/g of excellent specific capacities in contrast to Bi<sub>2</sub>S<sub>3</sub> electrode (76.0 C/g) at the appropriate scan rate of 10 mV/s, due to the synergistic effects of both Bi<sub>2</sub>S<sub>3</sub> and rGO in hybrid electrode. The Bi<sub>2</sub>S<sub>3</sub>-rGO NCs electrode shows 296.7 C/g of total (<span><math><mrow><msubsup><mi>Q</mi><mi>T</mi><msup><mo>∗</mo><mo>′</mo></msup></msubsup><mo>)</mo></mrow></math></span>, 171.6 C/g of inner (<span><math><mrow><msubsup><mi>Q</mi><mi>I</mi><msup><mo>∗</mo><mo>′</mo></msup></msubsup><mo>)</mo></mrow></math></span>, and 125.0 C/g of outer (<span><math><mrow><msubsup><mi>Q</mi><mi>O</mi><msup><mo>∗</mo><mo>′</mo></msup></msubsup><mo>)</mo></mrow></math></span> specific capacities from Trasatti analysis. The EIS study provides the R<sub>s</sub> and R<sub>ct</sub> values of 0.65 and 1.30 Ω for Bi<sub>2</sub>S<sub>3</sub>-rGO NCs electrode, suggesting their good ion transportation characteristics. Also, the cyclic stability has been studied for Bi<sub>2</sub>S<sub>3</sub>-rGO NCs electrode and it provides 84.03 % of good capacitive retention and 104.31 % of coulombic efficiency over 3000 cycles. Additionally, the hybrid supercapacitor device (HSC) of Bi<sub>2</sub>S<sub>3</sub>-rGO//AC has been fabricated, which shows 110.1 C/g of specific capacity, 25.8 Wh/kg of energy density (<span><math><mrow><msub><mi>E</mi><mtext>HSC</mtext></msub></mrow></math></span>), and 844.9 W/kg of power density (<span><math><mrow><msub><mi>P</mi><mtext>HSC</mtext></msub></mrow></math></span>) at 1 A/g current density. Further, the fabricated device exhibits 86.3 % better capacitive retention and a coulombic efficiency (<span><math><mrow><mi>η</mi></mrow></math></span>) of 100.1 % at the current density of 10 A/g over 10,000 GCD cycles.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"187 ","pages":"Article 109164"},"PeriodicalIF":4.2,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142723843","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}
Pub Date : 2024-11-26DOI: 10.1016/j.mssp.2024.109147
Yifei Li , Pengxiang Hou , Shuangyuan Pan , Pin Wang , Weiwei Cheng , Jing Wang , Le Yu , Zheyang Li , Rui Jin
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.
{"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}
Pub Date : 2024-11-26DOI: 10.1016/j.mssp.2024.109152
Hongbang Zhang , Song Hu , Miao Tian , Xiaokun Gu
Electroplated copper thin films are essential in microelectronics, widely used for back-end interconnects, through-silicon vias, and redistribution layers. Currently, their thermal conductivity is frequently estimated indirectly using the four-point probe method and the Wiedemann-Franz law, with limited research on their anisotropy and influencing factors. In this paper, we report the measurements on the electrical and thermal properties of electroplated copper thin films under different current densities during plating and thicknesses using the four-point probe method and frequency-domain thermoreflectance. The results indicate that current density and film thickness significantly influence the microstructure of the copper thin films, resulting in pronounced anisotropy in thermal conductivity. Scanning electron microscopy and electron backscatter diffraction analyses further reveal the microstructural features responsible for this anisotropy and explain how current density affects the internal structure of electroplated copper films, impacting their thermal conductivity. These insights provide valuable theoretical guidance for designing and optimizing electroplated copper films in electronic applications.
{"title":"Current density and thickness dependent anisotropic thermal conductivity of electroplated copper thin films","authors":"Hongbang Zhang , Song Hu , Miao Tian , Xiaokun Gu","doi":"10.1016/j.mssp.2024.109152","DOIUrl":"10.1016/j.mssp.2024.109152","url":null,"abstract":"<div><div>Electroplated copper thin films are essential in microelectronics, widely used for back-end interconnects, through-silicon vias, and redistribution layers. Currently, their thermal conductivity is frequently estimated indirectly using the four-point probe method and the Wiedemann-Franz law, with limited research on their anisotropy and influencing factors. In this paper, we report the measurements on the electrical and thermal properties of electroplated copper thin films under different current densities during plating and thicknesses using the four-point probe method and frequency-domain thermoreflectance. The results indicate that current density and film thickness significantly influence the microstructure of the copper thin films, resulting in pronounced anisotropy in thermal conductivity. Scanning electron microscopy and electron backscatter diffraction analyses further reveal the microstructural features responsible for this anisotropy and explain how current density affects the internal structure of electroplated copper films, impacting their thermal conductivity. These insights provide valuable theoretical guidance for designing and optimizing electroplated copper films in electronic applications.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"187 ","pages":"Article 109152"},"PeriodicalIF":4.2,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142723837","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}
Pub Date : 2024-11-26DOI: 10.1016/j.mssp.2024.109144
Muhammad Yar Khan , Tariq Usman , Asif Ilyas , Arzoo Hassan , Umer Younis , Atta Ullah , Syed Awais Ahmad , Abdullah Al Souwaileh
Based on first principles calculations, we scrutinized the impact of vacancies and doping on the electronic, magnetic, and optical properties of the 1T-PdS2 monolayer. Our findings highlight the importance of noticeable behaviors arise by introducing different types of vacancies. Especially, a single palladium vacancy (V1Pd) transforms the semiconducting nature of 1T-PdS2 into a semi-metallic nature, while sulfur vacancies (V1S, V2S), and a combination of palladium and sulfur vacancy (V1Pd+1S) maintain its semiconducting nature. The V1Pd and V1Pd+1S vacancies generate magnetic ground states with marvelous magnetic dipole moments of 4μB and 2μB, respectively, whereas the V1S and V2S defects provides nonmagnetic ground states. In addition, the defective 1T-PdS2 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-PdS2 monolayer for photovoltaic and optoelectronic applications.
{"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}
Pub Date : 2024-11-26DOI: 10.1016/j.mssp.2024.109169
Yang He , Liangchi Zhang
In the context of grinding and polishing of monocrystalline silicon, abrasive particles repeatedly scratch the surface. The resultant subsurface damage significantly degrades the performance of monocrystalline silicon as a semiconductor substrate or optical component. However, the exact mechanism of material removal in monocrystalline silicon subjected to repeated nano-scratching remains inadequately understood. To address this gap, we conducted an in-depth study of the deformation characteristics of monocrystalline silicon via repeated nano-scratch tests. The nano-scratching was performed using atomic force microscopy (AFM) with a diamond tip, which had a radius of approximately 62 nm, under a normal load of about 23 μN. We employed scanning electron microscopy and transmission electron microscopy to analyze the states of the removed material, focusing on the mechanisms of material removal in ductile-regime machining. Our findings indicated that the monocrystalline silicon surface was removed through the formation of continuous curved chips composed of amorphous phase structures. Subsurface deformation from a single nano-scratching was through amorphization and machining defects, including dislocations, stacking faults, and lattice distortions. With repeated nano-scratching, these defects further underwent amorphization and became randomly distributed, rather than occurring in the <111> direction. Moreover, the subsurface defects exhibited a tendency not to expand or penetrate deeper with increasing nano-scratching cycles. This study provides crucial insights into the evolution of subsurface damage under repeated nano-scratching, offering valuable guidance for optimizing grinding and polishing processes to achieve high-quality subsurface and further enhance the performance of monocrystalline silicon.
{"title":"Deformation characteristics and subsurface damage of monocrystalline silicon under repeated nano-scratching","authors":"Yang He , Liangchi Zhang","doi":"10.1016/j.mssp.2024.109169","DOIUrl":"10.1016/j.mssp.2024.109169","url":null,"abstract":"<div><div>In the context of grinding and polishing of monocrystalline silicon, abrasive particles repeatedly scratch the surface. The resultant subsurface damage significantly degrades the performance of monocrystalline silicon as a semiconductor substrate or optical component. However, the exact mechanism of material removal in monocrystalline silicon subjected to repeated nano-scratching remains inadequately understood. To address this gap, we conducted an in-depth study of the deformation characteristics of monocrystalline silicon via repeated nano-scratch tests. The nano-scratching was performed using atomic force microscopy (AFM) with a diamond tip, which had a radius of approximately 62 nm, under a normal load of about 23 μN. We employed scanning electron microscopy and transmission electron microscopy to analyze the states of the removed material, focusing on the mechanisms of material removal in ductile-regime machining. Our findings indicated that the monocrystalline silicon surface was removed through the formation of continuous curved chips composed of amorphous phase structures. Subsurface deformation from a single nano-scratching was through amorphization and machining defects, including dislocations, stacking faults, and lattice distortions. With repeated nano-scratching, these defects further underwent amorphization and became randomly distributed, rather than occurring in the <111> direction. Moreover, the subsurface defects exhibited a tendency not to expand or penetrate deeper with increasing nano-scratching cycles. This study provides crucial insights into the evolution of subsurface damage under repeated nano-scratching, offering valuable guidance for optimizing grinding and polishing processes to achieve high-quality subsurface and further enhance the performance of monocrystalline silicon.</div></div>","PeriodicalId":18240,"journal":{"name":"Materials Science in Semiconductor Processing","volume":"187 ","pages":"Article 109169"},"PeriodicalIF":4.2,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142723940","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}
Pub Date : 2024-11-25DOI: 10.1016/j.mssp.2024.109145
Tongtong Zhang , Yuling Liu , Hongdong Zhao , Xiaodong Luan , Chong Luo
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.
{"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}
Pub Date : 2024-11-25DOI: 10.1016/j.mssp.2024.109138
Sidra Sabir , Shakeel Ahmad , Abdul Ghafar Wattoo
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 CsMnCl3 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 CsMnCl3 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.
{"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}
Pub Date : 2024-11-25DOI: 10.1016/j.mssp.2024.109129
Diwei Shi , Jiexi Song , Yanqing Qin , Xinyu Chen , Shiyu Du
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.
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Pub Date : 2024-11-25DOI: 10.1016/j.mssp.2024.109161
Dhamodharan A , Jhansirani K , Perumal K , Yajun Gao , Huan Pang
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.
本研究介绍了一种创新型传感器的开发情况，该传感器用于检测含有叶酸（FA）的食品样品中的香兰素（VAN），叶酸是一种重要的营养添加剂。虽然这些化合物对健康大有益处，但过量食用会导致不良影响，包括由 VAN 引起的过敏反应以及与高水平 FA 相关的结肠直肠癌风险增加。该传感器满足了精确定量食品样品中 VAN 和 FA 的关键需求，确保了食品安全和最佳营养平衡。生物合成的 BiOBr（BOB）纳米结构被有效固定在玻璃碳电极（GCE）上，表现出明确的物理特性。BOB/GCE 传感器利用这两种成分的独特特性增强了传感能力。BOB 材料增加了传感器的表面积，从而可以更好地吸附目标分子。同时，BOB/GCE 具有出色的导电性，有利于有效的电子转移。当目标分子与 BOB/GCE 表面发生相互作用时，传感器通过电化学反应检测 VAN 和 FA。该纳米结构平台经过优化，可用于 VAN 和 FA 的快速电化学检测，具有宽广的线性响应范围和明显较低的检测限 (LOD)。VAN (4.3-113 μM)和 FA (5.6-96.5 μM)的线性校准曲线，检测限分别为 0.057 μM 和 0.068 μM。抗干扰测试和实际样品分析证实了这种材料在开发先进电化学传感器方面的潜力。BOB/GCE 非常适合食品应用中的实时传感，其回收值已根据 HPLC 标准进行了验证，以确保精度和准确性。
{"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}
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