Silicon最新文献

{"title":"Ameliorating and Tailoring the Features of Silica-Silicon Carbide Nanoceramic Doped Polyethylene Oxide for Promising Optoelectronics Applications","authors":"Mohammed H. Abbas,&nbsp;Hamed Ibrahim,&nbsp;Ahmed Hashim,&nbsp;Aseel Hadi","doi":"10.1007/s12633-025-03227-5","DOIUrl":"10.1007/s12633-025-03227-5","url":null,"abstract":"<div><p>Interest in exploiting physical properties of nanocomposite materials continues its upward trajectory, which can lead to advancements in a variety of application domains, including sensing and optoelectronics. Here, silica (SiO₂) and silicon carbide (SiC)-reinforced polyethylene oxide (PEO) nanocomposite membranes (NMs) are fabricated by a casting method. The SiO₂-SiC nanoparticle (NP) content is changed between 0–5.1 wt.%, followed by characterizing microstructural and optical properties of the resulting NMs. The successful reinforcement of SiO₂ and SiC NPs within the matrix is described using different analytical mechanisms. The absorbance of PEO/SiO₂-SiC NMs increases to 74.2%, and their transmittance decreases to 46% at a wavelength of λ = 560 nm when the SiO₂-SiCNP content increases to 5.1 wt.%. The absorption coefficient of pure PEO (6591 cm⁻¹) is found to increase to 8450 cm⁻¹ for the 5.1 wt.% NP content at a photon energy of 4.14 eV. Meanwhile, increasing the NP content from 0 to 5.1 wt.% decreases the allowed and forbidden indirect transition energy gaps from 3.7 to 3.3 eV and 3.6 to 3.2 eV, respectively. Alternatively, increasing trends are observed for the refractive index (from 1.94 to 2.64) and extinction coefficient (from 5.47 × 10^–3 to 19.76 × 10^–3) at λ = 780 nm. Also, the increased SiO₂-SiCNP content enhances the real and imaginary parts of the dielectric constant of the NMs.</p></div>","PeriodicalId":776,"journal":{"name":"Silicon","volume":"17 3","pages":"697 - 707"},"PeriodicalIF":2.8,"publicationDate":"2025-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143481032","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"N2O Reduction on Surfaces of V-Si48, V-C48, V-B24N24, V-CNT(6, 0) and V-BNNT(6, 0)) as Catalysts","authors":"Zahraa Sabah Ghnim,&nbsp;Farag M. A. Altalbawy,&nbsp;Shelesh Krishna Saraswat,&nbsp;Rekha M M,&nbsp;Guntaj J,&nbsp;Navin Kedia,&nbsp;M. Ravi Kumar,&nbsp;Ayat Hussein Adhab,&nbsp;Morug Salih Mahdi,&nbsp;Aseel Salah Mansoor,&nbsp;Usama Kadem Radi,&nbsp;Nasr Saadoun Abd","doi":"10.1007/s12633-025-03223-9","DOIUrl":"10.1007/s12633-025-03223-9","url":null,"abstract":"<div><p>In this study, the catalytic activity of Vanadium doped Si, C and BN nanocages and Vanadium doped Si, C and BN nanotube (6, 0) for N₂O reduction to create the CO, CO₂, N₂ and O₂ molecules are investigated by computational models. The reaction steps of V–O* + CO → V* + CO₂, V–O* + ethylene → V* + ethylene oxide and V–O* + N₂O → V* + N₂ + O₂ mechanisms for N₂O reduction are examined. The ΔG_reaction values for N₂O reduction on Vanadium doped Si, C and BN nanotube (6, 0) are more negative than Vanadium doped Si, C and BN nanocages. The E_activation values of V–O* + N₂O → V* + N₂ + O₂ are higher than V–O* + CO → V* + CO₂, V–O* + ethylene → V* + ethylene oxide mechanisms. The V–O* + CO → V* + CO₂ and V–O* + ethylene → V* + ethylene oxide mechanisms are acceptable pathways for N₂O reduction on Vanadium doped Si, C and BN nanocages and Vanadium doped Si, C and BN nanotube (6, 0). The Vanadium doped-Si and BN nanotube (6, 0) are proposed as effective catalysts for N₂O reduction with high performance.</p></div>","PeriodicalId":776,"journal":{"name":"Silicon","volume":"17 3","pages":"685 - 695"},"PeriodicalIF":2.8,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143480987","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Vanadium Pentoxide and Bismuth Oxide Thin Films Deposition on PSi for Application in Solar Cells","authors":"Mustafa Younis Ali,&nbsp;Marwah A. AL-Azzawi,&nbsp;Wedian K. Abad,&nbsp;Ahmed N. Abd","doi":"10.1007/s12633-024-03216-0","DOIUrl":"10.1007/s12633-024-03216-0","url":null,"abstract":"<div><p>In this study, V₂O₅ and Bi₂O₃ nanoparticles were synthesized using a hydrolysis method and simple chemical method respectively. PSi was prepared by electrochemical etching method. The samples were characterized by X-ray diffraction (XRD), Atomic force microscopy (AFM), Scanning electron microscope (SEM), ultra violet-visible (UV–Vis), Fourier transform infrared (FTIR) and PL emission. From X-ray pattern of PSi, it observed a strong peak of (PSi) at 2θ = 69.04 and 69.24 is confirming the mono-crystalline structure of the Si layer. from AFM of freshly prepared porous silicon found the surface form like hillocks with un-uniform different heights surface. with RMS roughness (Sq): 3.62 nm, Mean roughness (Sa): 2.43 nm and Maximum height (Sz): 61.39. it was a single peak emission at 647 nm was due to PSi nano-crystalline. FTIR spectrum identified the most important functional groups involved in the formation of PSi. The mean crystalline size of V₂O₅ and Bi₂O₃ nanoparticles was found to be around (19.70 and 28.57) nm. The morphology of the synthesized V₂O₅. and Bi₂O₃ NPs was observed exhibits lamellar structure with diameters 68.08 nm and 32.18 nm respectively. FTIR spectrum identified the most important functional groups involved in the formation of V₂O₅ and Bi₂O₃. The optical band gap of V₂O₅-NPs was found to be 3 eV and Bi₂O₃ NPs was (4.52 eV). The efficiency of the fabricated solar cell was found to be 1.38% and filling factor 20.62%.</p></div>","PeriodicalId":776,"journal":{"name":"Silicon","volume":"17 3","pages":"625 - 634"},"PeriodicalIF":2.8,"publicationDate":"2025-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143481224","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Multifarious Activity of Silicon in Sugarcane Productivity Escalation: Regulatory Mechanisms and Future Outlook","authors":"Sathya Priya Ramalingam,&nbsp;Jagathjothi Narayanan,&nbsp;Sharmila Radhakrishnan,&nbsp;Saranya Moora Nayakkar,&nbsp;Ramya Balraj,&nbsp;Yuvaraj Muthuraman,&nbsp;Srivani Gomasa,&nbsp;Suganthi Nadarajan,&nbsp;Murali Arthanari Palanisamy,&nbsp;Bharathi Chandrasekaran,&nbsp;Senthil Kumar Govindan,&nbsp;Karthiba Loganathan,&nbsp;Natarajan Sanjeevi,&nbsp;Chiranjeevirajan Natarajan,&nbsp;Jaiby Cyriac","doi":"10.1007/s12633-024-03215-1","DOIUrl":"10.1007/s12633-024-03215-1","url":null,"abstract":"<div><p>In the current scenario, biotic and abiotic pressures driven by climate change pose serious obstacles to sugarcane cultivation and highly risk for global production. Silicon (Si), a quasi-essential element has been shown to significantly increase sugarcane productivity and related attributes under stressful conditions. Si-transporters such as LSi1, LSi2, and LSi6 are found in the sugarcane roots that essential for intake, transport, and accumulation of Si within the plants. Since, Si deposition creates a barrier against pests and diseases in sugarcane tissues, this movement is crucial for reducing stressors, consequently rate of photosynthesis, LAI, DMP, shoot count and biomass output was enhanced. In seedling and tillering stages of sugarcane, Si application increased the activity of enzymes hydrogen peroxide (H₂O₂), malondialdehyde (MDA), and superoxide dismutase (SOD), while peroxidase activity (POD) was decreased. This led to buildup of reactive oxygen species (ROS), which in turn prompted defence response. But at the jointing stage, MDA and H₂O₂ levels dropped while, SOD and POD activity increased all of which helped to remove excessive ROS. Si may regulate chitinase, β-1,3 glucanase, polyphenoloxidase (PPO), and phenylalanine ammonia-lyase (PAL); additionally, phenol and lignin amounts of sugarcane leaves were noticeably higher. Si improved the bacterial network in the rhizosphere soil, which might have facilitated the growth at critical stage of sugarcane. Si enhanced antimicrobial activity resulted in a twofold impact for suppression of bacteria <i>Leuconostoc spp</i> in post-harvest deterioration losses and also regulated the sucrose inversion process. At the molecular level, Si is essential for reducing metal phytotoxicity through the transcriptional alteration of phytochelatin genes and metal transporters. It also offers insightful information about the ways in which Si functions through an in-depth assessment of sugarcane and it helps researchers, agronomists, and policymakers develop sustainable strategies that will ensure the productivity and resilience of sugarcane in a context of changing environmental hardships.</p></div>","PeriodicalId":776,"journal":{"name":"Silicon","volume":"17 3","pages":"635 - 671"},"PeriodicalIF":2.8,"publicationDate":"2025-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143481223","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Tuning Structural and Topological Properties of Silicon-Based Orthorhombic Crystals for Enhanced Radiation Shielding","authors":"Z. Y. Khattari","doi":"10.1007/s12633-024-03218-y","DOIUrl":"10.1007/s12633-024-03218-y","url":null,"abstract":"<div><p>This study explores γ-radiations shield character of select Si-based orthorhombic crystals, specifically CaSrSi, BaMgSi, MgAlSi, and MgSrSi, to assess their potential for γ-ray shielding applications. Utilizing Hirshfeld topological geometries (HTGs), investigation of the structural and compositional characteristics that contributes to these materials' effectiveness in attenuating high-energy photons. By analyzing the essential parameters such as the MAC, LAC, and Z_eff, the study demonstrate that BaMgSi crystal, in particular, exhibits a superior capacity for radiation attenuation due to its higher MAC ∈ [0.039, 48.280] cm².g⁻¹, LAC ∈ [0.144, 179] cm⁻¹ and Z_eff ∈ [37, 48] values in the studied energy range. The findings reveal a correlation between charge densities of HTGs and LAC values, indicating that the optimization of these topological parameters enhances the materials' shielding performance. The study highlights the potential of these crystals for various applications where effective radiation shielding is crucial. This research provides important prospective into designing of advanced crystals with improved attenuation capabilities for future innovations in radiation protection technologies.</p></div>","PeriodicalId":776,"journal":{"name":"Silicon","volume":"17 3","pages":"673 - 683"},"PeriodicalIF":2.8,"publicationDate":"2025-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143481222","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Preparation of SiO2 Photocatalyst via Electron-Assisted Thermal Decomposition of Rice Husks and its Application for Chromium (VI) Determination","authors":"Meng-Jie Cui,&nbsp;Imran Muhammad,&nbsp;Tie-Zhen Ren,&nbsp;Kenji Okitsu,&nbsp;Wei Fan,&nbsp;Xue-Jun Zhang","doi":"10.1007/s12633-025-03222-w","DOIUrl":"10.1007/s12633-025-03222-w","url":null,"abstract":"<div><p>Rice husk ash (RHA), obtained through pyrolysis of rice husk (RH), is primarily composed of silicon dioxide (SiO₂). However, a conventional thermal treatment produces harmful byproducts, that can pollute the environment and harm biological health. Meanwhile, energy consumption hinders scaling up a conventional producing technique. Here, an electron-assisted thermal decomposition (EATD) technology was developed to obtain silicon dioxide (SiO₂), which included two mixed crystal phases: cristobalite and tridymite. The influence of temperature on the SiO₂ structure was examined through the various structural characterizations. Based on the experimental findings, we emphasized that the EATD process induced specific structural phase and glass transition owning to the radiated heat system. Notably, the prepared samples displayed the ability as a chemical sensor for Cr⁶⁺ and photocatalyst for methylene blue (MB) degradation. This unique characteristic improved the detection signal for Cr⁶⁺ by at least twofold, resulting in a streamlined detection technique that reduced the risk of secondary pollution.</p></div>","PeriodicalId":776,"journal":{"name":"Silicon","volume":"17 3","pages":"571 - 583"},"PeriodicalIF":2.8,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143481170","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ameliorating the Features of TiN/SiO2 Promising Nanoceramic Doped Optical Polymer for Multifunctional Optoelectronics Applications","authors":"Ahmed Hashim,&nbsp;Ghaith Ahmed,&nbsp;Hamed Ibrahim,&nbsp;Aseel Hadi","doi":"10.1007/s12633-025-03220-y","DOIUrl":"10.1007/s12633-025-03220-y","url":null,"abstract":"<div><p>The goal of this work is to improve the optical and structural properties of titanium nitride(TiN)- silica(SiO₂) promising nanoceramic doped polystyrene (PS) to apply in flexible nanoelectronics and optical fields. The films of (PS-TiN-SiO₂) were produced utilizing the casting process. The structure, and optical properties of (PS-TiN-SiO₂) nanostructures were examined. The structure characteristics of (PS-TiN-SiO₂) nanostructures were tested using FTIR and optical microscope(OM). The OM images confirmed the good dispersion of (TiN-SiO₂)NPs throughout the (PS) matrix, whilst the FTIR revealed a physical relationship between the polymer (PS) and the nanoparticles. The optical characteristics were examined at wavelengths (λ = 320-920nm). The study found that when TiN-SiO₂ NPs reaching 2.8 wt%, the absorbance increased of 32.8% and transmission decreased of 11.3% at wavelength(360 nm), making them perfect for various optical fields. When TiN-SiO₂ NPs concentration reached of 2.8 wt%, the energy gap of PS decreased to 2.53eV and refractive index increased from 2 to 2.24 making (PS-TiN-SiO₂) nanostructures ideal for optoelectronics nanodevices. As the concentration of TiN-SiO₂ NPs rises, the other optical parameters(absorption coefficient, extinction coefficient, real and imaginary dielectric constants, and optical conductivity) were increased. Finally, the results confirmed that the (PS-TiN-SiO₂) nanostructures may be considered as a future nanosystems to exploit in a variety of potential nanoelectronics and optics applications.</p></div>","PeriodicalId":776,"journal":{"name":"Silicon","volume":"17 3","pages":"585 - 598"},"PeriodicalIF":2.8,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143481169","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Bi2O3 Reinforced B2O3–SiO2–MgO Glass System: a Characterization Study Through Physical, Mechanical and Gamma Shields Characteristics","authors":"Kh. S. Shaaban,&nbsp;Dalal Abdullah Aloraini,&nbsp;Ateyyah M. Al-Baradi,&nbsp;E. E. Assem","doi":"10.1007/s12633-024-03217-z","DOIUrl":"10.1007/s12633-024-03217-z","url":null,"abstract":"<div><p>The glass system with the compositions (15SiO₂-75B₂O₃- (<i>10-x</i>)MgO-<i>x</i>Bi₂O₃, <span>(x)</span> = (<span>(0le)</span> <i>x</i> <span>(ge 10)</span>) in mol% has been formulated with the conventional melt quenching procedure. The amorphous character was verified with XRD. As an increase of Bi₂O₃ the (<span>(rho)</span>) increased from 2.88 to 4.97 g/cm³ and (<span>({V}_{m})</span>) declined from 22.66 to 21.69 cm³/ mol. The ultrasonic velocities were measured to evaluate elastic moduli. Using the theoretical Makishima-Mackenzie model to calculate elastic moduli provides a valuable tool for confirming the experimental results. Using the Phy-X tool, the radiation shielding properties were theoretically estimated. Evaluations have been done on linear and mass attenuation coefficients (MAC and LAC), the effective atomic number (Zeff), and electronic density (Neff). The observation was that shielding parameters are influenced by the concentration of Bi₂O₃ and photon energy. The observation was that MgBi-10 exhibited the highest density, highest elastic moduli, and highest radiation shielding factors such as (MAC), (LAC), (Zeff), and (Neff) among the glass samples. The observation was that the glass sample with 10 mol% Bi₂O₃ doping (MgBi-10) exhibited the best overall properties for both mechanical and radiation shielding applications.</p></div>","PeriodicalId":776,"journal":{"name":"Silicon","volume":"17 3","pages":"615 - 624"},"PeriodicalIF":2.8,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143481167","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Computational Analysis of Mostar Type Indices and Entropy Measures in Silicon Dioxide and Nanostructures","authors":"Jiang-Hua Tang,&nbsp;Muhammad Kamran Siddiqui,&nbsp;Muhammad Yousaf Bhatti,&nbsp;Muhammad Younas,&nbsp;Shazia Manzoor,&nbsp;Muhammad Farhan Hanif","doi":"10.1007/s12633-025-03221-x","DOIUrl":"10.1007/s12633-025-03221-x","url":null,"abstract":"<div><p>This article presents a comprehensive topological analysis of Mostar-type indices and entropy measures applied to Silicon Dioxide <span>((SiO_{2}))</span> and nanostructures. To characterize the complexity and variety within <span>(SiO_{2})</span> and other nanostructures, this research looks into the calculation of Mostar-type indices, a unique mathematical framework, and entropy metrics. This work presents a thorough investigation of the atomic arrangements and information content inherent in these materials by using cutting-edge computational tools and algorithms. The measurement of complex molecular structures can be achieved through the correlation of entropy with graphs. Various graph entropies have been proposed in the literature. This study introduces novel graph entropies that utilize bond additive indices to assess network and graph peripherality. Specifically, we calculated the Mostar type indices, Mostar entropy, edge Mostar entropy, and total Mostar entropy for molecular structures such as <span>(SiO_{2})</span>, <span>(C_{8})</span> layer structure, and melem chain nanostructure. Moreover, analytical expressions for these entropies were derived using the cut method.</p></div>","PeriodicalId":776,"journal":{"name":"Silicon","volume":"17 3","pages":"599 - 614"},"PeriodicalIF":2.8,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143481168","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"SO2 Hydro-Desulfurization to H2S Production Through the Cu-C84, Cu-Si84, Cu-CNT(9, 0) and Cu-SiNT(9, 0) Catalysts","authors":"Farag M. A. Altalbawy,&nbsp;Baraa Mohammed Yaseen,&nbsp;Ali Fawzi Al-Hussainy,&nbsp;Roopashree R,&nbsp;Bharti Kumari,&nbsp;M. Ravi Kumar,&nbsp;Sharnjeet Kaur,&nbsp;Heyder H. A. Alanvari,&nbsp;Hadil Hussain Hamza,&nbsp;Wael Dheaa Kadhim Al Ghezy,&nbsp;Fadhel Faez Sead","doi":"10.1007/s12633-024-03210-6","DOIUrl":"10.1007/s12633-024-03210-6","url":null,"abstract":"<div><p>In this work, the potential of nanocages (Cu-C₈₄ and Cu-Si₈₄) and nanotubes (Cu-CNT(9, 0) and Cu-SiNT(9, 0)) for SO₂ hydro-desulfurization to produce the H₂S are examined via acceptable mechanisms. The ∆E_adoption and ∆E_formation of Cu-C₈₄, Cu-Si₈₄, Cu-doped C and Si nanotubes (9, 0) are acceptable values to confirm the stability of nanostructures. The ∆E_adsorption of SO₂, SO, S, O, SH, OH, H₂S and H₂O on Cu-C₈₄ are -4.38, -3.75, -2.68, -3.03, -0.14, -0.06, -0.21 and -0.10 eV, respectively. The H₂O and H₂S molecules are desorbed from nanostructures, physically. The ∆E_formation of Cu-C₈₄, Cu-Si₈₄, Cu-doped C and Si nanotubes (9, 0) are -2.91, -3.06, -3.39 and -3.46 eV, respectively. Results indicated that the hydrogenation of S* has more negative ΔG_reaction than hydrogenation of O* on Cu-C₈₄, Cu-Si₈₄, Cu-doped C and Si nanotubes (9, 0), significantly. The hydrogenation of S* has lower E_activation than hydrogenation of O* on surfaces of catalysts. The ΔG_reaction of S → SH → H₂S reaction on Cu-Si₈₄ and Cu-doped Si nanotube (9, 0) are more negative than Cu-C₈₄ and Cu-doped C nanotube (9, 0). Finally, the Cu-doped C and Si nanotubes (9, 0) as effective nano-catalysts for SO₂ hydro-desulfurization to H₂S production are proposed with high performance.</p></div>","PeriodicalId":776,"journal":{"name":"Silicon","volume":"17 3","pages":"563 - 569"},"PeriodicalIF":2.8,"publicationDate":"2025-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143480965","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}