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0D/2D hybrid Ni - Fe bi-metal oxides quantum dots/graphitic carbon nitride nanosheets for photo-Fenton system degradation of tetracycline hydrochloride
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-04-04 DOI: 10.1016/j.jpcs.2025.112753
Chuanlin Dai , Yubo Zhang , Zhe Zhang , Jinsheng Li , Xuefei Lei , Xuanwen liu , Rui Guo
{"title":"0D/2D hybrid Ni - Fe bi-metal oxides quantum dots/graphitic carbon nitride nanosheets for photo-Fenton system degradation of tetracycline hydrochloride","authors":"Chuanlin Dai ,&nbsp;Yubo Zhang ,&nbsp;Zhe Zhang ,&nbsp;Jinsheng Li ,&nbsp;Xuefei Lei ,&nbsp;Xuanwen liu ,&nbsp;Rui Guo","doi":"10.1016/j.jpcs.2025.112753","DOIUrl":"10.1016/j.jpcs.2025.112753","url":null,"abstract":"<div><div>Hybrid materials composed of 0D/2D multi-metal active sites have garnered significant attention as photocatalysts for photogenerated Fenton reactions due to their abundant surface active sites and high charge mobility. However, such 0D/2D hybrid materials often suffer from phenomena such as the agglomeration of metal active sites. In this study, a novel dual metal oxide quantum dot/carbon nitride nanosheets (NiFeO (3:7) QDs/CNNSs) hybrid was successfully synthesized through a simple one<sup>-</sup>step calcination method. In a photocatalytic Fenton system, the NiFeO (3:7) QDs/CNNSs composite exhibited a degradation efficiency of 93.59% for tetracycline hydrochloride (TC) within 90 minutes. The rapid electron transfer pathways formed between NiFeO quantum dots and CNNSs effectively enhanced charge transfer and charge separation capabilities. Furthermore, the presence of NiFeO QDs facilitated the generation of ·O<sub>2</sub><sup>-</sup> at the interface of CNNSs, significantly improving its photocatalytic degradation performance. Therefore, the NiFeO quantum dots combined with graphite<sup>-</sup>like carbon nitride nanosheets show great potential as an efficient and stable photocatalyst for the degradation of organic pollutants in practical applications. This property suggests significant applicability of this composite material in the field of environmental protection, providing new solutions for enhancing wastewater treatment efficiency and reducing environmental pollution.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"204 ","pages":"Article 112753"},"PeriodicalIF":4.3,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792271","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}
引用次数: 0
Natural graphite coated with Li2SiO3–Li2CO3-CNTs composite by solvothermal synthesis for high-performance sulfide-based all-solid-state lithium batteries
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-04-03 DOI: 10.1016/j.jpcs.2025.112749
Hirosuke Sonomura , Tomoatsu Ozaki , Yasunori Hasegawa , Yoshiaki Sakurai
{"title":"Natural graphite coated with Li2SiO3–Li2CO3-CNTs composite by solvothermal synthesis for high-performance sulfide-based all-solid-state lithium batteries","authors":"Hirosuke Sonomura ,&nbsp;Tomoatsu Ozaki ,&nbsp;Yasunori Hasegawa ,&nbsp;Yoshiaki Sakurai","doi":"10.1016/j.jpcs.2025.112749","DOIUrl":"10.1016/j.jpcs.2025.112749","url":null,"abstract":"<div><div>Natural graphite is used as the anode material for sulfide-based all-solid-state lithium batteries, but the sulfide solid electrolyte causes problems with the natural graphite, the performance of which needs to be improved. Natural graphite coated with a Li<sub>2</sub>SiO<sub>3</sub> and Li<sub>2</sub>CO<sub>3</sub> composite was prepared by solvothermal synthesis at 650 °C for sulfide-based all-solid-state lithium batteries. The coating was intended to prevent decomposition of the solid electrolyte at low potential, cracking of the graphite or solid electrolyte, and separation of the bond between the graphite and solid electrolyte as a result of volume expansion and shrinkage during insertion and desorption of lithium ions into the graphite. Coating natural graphite with the Li<sub>2</sub>SiO<sub>3</sub> and Li<sub>2</sub>CO<sub>3</sub> composite improved the capacity retention rate after the 100th charging, and the addition of carbon nanotubes to the composite improved the rate characteristics. This study demonstrates that high-performance natural graphite can be developed as an anode material for sulfide-based all-solid-state lithium batteries.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"204 ","pages":"Article 112749"},"PeriodicalIF":4.3,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143785441","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}
引用次数: 0
Unveiling potential lithium ionic conductors through machine learning and atomic simulation approaches
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-04-03 DOI: 10.1016/j.jpcs.2025.112752
Muhamad Kurniawan, Muhammad Hilmy Alfaruqi, Ahmad Nurul Fahri, Seunggyeong Lee, Jaekook Kim
{"title":"Unveiling potential lithium ionic conductors through machine learning and atomic simulation approaches","authors":"Muhamad Kurniawan,&nbsp;Muhammad Hilmy Alfaruqi,&nbsp;Ahmad Nurul Fahri,&nbsp;Seunggyeong Lee,&nbsp;Jaekook Kim","doi":"10.1016/j.jpcs.2025.112752","DOIUrl":"10.1016/j.jpcs.2025.112752","url":null,"abstract":"<div><div>This study delves into the critical realm of solid-state electrolytes (SSE) to address the safety concerns associated with conventional liquid electrolytes in lithium-ion batteries. Specifically, machine learning (ML) method was used to expedite the discovery of novel SSE materials. A comparative analysis involving random forest, support vector regression, XGBoost, and compositionally-restricted attention-based network models showcases the efficacy of the XGBoost model. This study extends its impact by integrating Ceder's statistical model of ionic substitution, resulting in the creation of 18,155 compounds. A meticulous screening process, guided by criteria such as high ionic conductivity, cost-effectiveness, and low toxicity, culminated in the identification of 287 potential lithium-ion conductors. In addition, we also employed density functional theory calculation for the selected candidate. This comprehensive approach exemplifies the synergy of ML and computational methodologies in accelerating the discovery and screening of materials for SSE applications, thereby contributing valuable insights to the ongoing advancements in energy storage technologies.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"204 ","pages":"Article 112752"},"PeriodicalIF":4.3,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143792273","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}
引用次数: 0
Adsorption mechanism of Phosgene gas onto the pristine hBN and Cu-decorated hBN: A DFT study
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-04-02 DOI: 10.1016/j.jpcs.2025.112716
Anurag Bhandari , Piyush Dua , Mukhtiyar Singh , Kamal Upreti , Shubham Mahajan , S.S. Askar , Mohamed Abouhawwash , Nitin K. Puri
{"title":"Adsorption mechanism of Phosgene gas onto the pristine hBN and Cu-decorated hBN: A DFT study","authors":"Anurag Bhandari ,&nbsp;Piyush Dua ,&nbsp;Mukhtiyar Singh ,&nbsp;Kamal Upreti ,&nbsp;Shubham Mahajan ,&nbsp;S.S. Askar ,&nbsp;Mohamed Abouhawwash ,&nbsp;Nitin K. Puri","doi":"10.1016/j.jpcs.2025.112716","DOIUrl":"10.1016/j.jpcs.2025.112716","url":null,"abstract":"<div><div>The adsorption behavior of pristine hBN monolayer and Cu-decorated hBN monolayer towards the detection of toxic gas such as COCl<sub>2</sub> were explored using the first principle calculations based on Density Functional Theory (DFT). The calculated low adsorption energy for the A4 configurations indicates that the interaction of the COCl<sub>2</sub> gas with pristine hBN was weak, resulting in poor recovery time. Therefore, to enhance the adsorption affinity of hBN, the Cu atom was adsorbed onto the surface of hBN (Cu-hBN) and substitutionally doped (Cu-doped hBN). It was based on energy minimization, and B2 and C2 configurations were the most stable configurations among the different adsorption configurations. The adsorption study revealed that strong chemical interaction exists, and the adsorption of COCl<sub>2</sub> gas onto Cu-hBN and Cu-doped hBN was a chemisorption. Further, various calculations such as DOS, Hirshfeld atomic charge, charge density differences, ELF, and RDG were calculated for the most stable configurations. The resulting DOS plot revealed that the COCl<sub>2</sub> adsorption enhances the electrical conductivity due to the 72.25 % and 54.13 % reduction in the band gap. Hirshfeld and ELF analysis showed that substantial charge transfer occurs in the case of B2 and C2 compared to A4 configurations. ELF analysis revealed that the Cu atom loses electrons to the COCl<sub>2</sub>, confirming the behavior of adsorbates as electron donors and COCl<sub>2</sub> as electron acceptors. Furthermore, RDG analysis revealed vdW interaction in the case of A4, whereas strong, attractive interaction exists in the case of B2 and C2 adsorption configurations. Finally, the calculated recovery time for B2 and C2 adsorption configurations at elevated temperatures under visible light suggests that Cu-doped hBN and Cu-hBN systems can be utilized as a sensing material in gas sensors to detect COCl<sub>2</sub> gas at high temperatures.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"204 ","pages":"Article 112716"},"PeriodicalIF":4.3,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143800340","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}
引用次数: 0
Optimization of buffer layers for CZTSSe solar cells through advanced numerical modelling
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-04-02 DOI: 10.1016/j.jpcs.2025.112744
Tanzir Ahamed , Fozlur Rayhan , Imteaz Rahaman , Md Hamidur Rahman , Md Mehedi Hasan Bappy , Tanvir Ahammed , Sampad Ghosh
{"title":"Optimization of buffer layers for CZTSSe solar cells through advanced numerical modelling","authors":"Tanzir Ahamed ,&nbsp;Fozlur Rayhan ,&nbsp;Imteaz Rahaman ,&nbsp;Md Hamidur Rahman ,&nbsp;Md Mehedi Hasan Bappy ,&nbsp;Tanvir Ahammed ,&nbsp;Sampad Ghosh","doi":"10.1016/j.jpcs.2025.112744","DOIUrl":"10.1016/j.jpcs.2025.112744","url":null,"abstract":"<div><div>Inorganic kesterite-based solar cells, especially those employing copper zinc tin sulfoselenide (CZTSSe), stand out for their eco-friendly, cost-effective nature, fuelling widespread interest in advanced, high-performance photovoltaics. In this study, we utilize numerical modelling (SCAPS-1D) to optimize CZTSSe devices incorporating four buffer materials (CdS, SnS<sub>2</sub>, IGZO, and ZnSe). We systematically investigate absorber defect density, buffer layer thickness, and doping profiles to enhance device performance. As a result, the i-ZnO/SnS<sub>2</sub>/CZTSSe/Au configuration achieves a power conversion efficiency of 28.38 %, with an open-circuit voltage of 0.83 V, a short-circuit current density of 39.93 mA/cm<sup>2</sup>, and a fill factor of 85.4 %. Subsequent stability analyses under varying temperatures, resistances, and recombination mechanisms confirm the robustness of this optimized structure. These findings underscore the effectiveness of tailored buffer-layer strategies for elevating both efficiency and stability in CZTSSe solar cells.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"204 ","pages":"Article 112744"},"PeriodicalIF":4.3,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143828327","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}
引用次数: 0
Loading 0D Zn0.5Cd0.5S nanoparticle onto 2D BiOBr flakes to boost photocatalytic activity under visible light
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-04-01 DOI: 10.1016/j.jpcs.2025.112743
Zao Jiang , Liang Zhang , Ziman Hao , Longjun Xu , Jian Sun , Qiu Yu , Yi Zheng , Chenglun Liu
{"title":"Loading 0D Zn0.5Cd0.5S nanoparticle onto 2D BiOBr flakes to boost photocatalytic activity under visible light","authors":"Zao Jiang ,&nbsp;Liang Zhang ,&nbsp;Ziman Hao ,&nbsp;Longjun Xu ,&nbsp;Jian Sun ,&nbsp;Qiu Yu ,&nbsp;Yi Zheng ,&nbsp;Chenglun Liu","doi":"10.1016/j.jpcs.2025.112743","DOIUrl":"10.1016/j.jpcs.2025.112743","url":null,"abstract":"<div><div>The Zn<sub>0.5</sub>Cd<sub>0.5</sub>S/BiOBr Z-type heterojunction photocatalyst (ZCS-BB), composed of 0D Zn<sub>0.5</sub>Cd<sub>0.5</sub>S nanoparticle and 2D BiOBr flakes, are achieved through a straightforward hydrothermal technology. SEM and TEM confirm the successful loading of 0D Zn<sub>0.5</sub>Cd<sub>0.5</sub>S nanoparticles onto the 2D BiOBr flakes. The addition of Zn<sub>0.5</sub>Cd<sub>0.5</sub>S leads to an augmentation in both surface area and solar utilization of BiOBr. Additionally, electrochemical analyses demonstrate that the composite exhibit enhanced charge separation efficiency and reduced the recombination rate of photocarriers compared to individual samples. In the synthesized photocatalysts, 5 %ZCS-BB displays exceptional photocatalytic efficacy in decomposing rhodamine B (99 %), with a reaction rate constant approximately 7.3 and 10.7 times greater than that for BiOBr and ZCS. Additionally, following four consecutive cycles, 5 %ZCS-BB exhibits remarkable photostability and structural integrity. Finally, combined with the XPS analysis and capture experiments, a potential degradation pathway of the contamination is disclosed. The current work could offer a highly effective and convenient photocatalyst in the remediation of dye wastewater.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"203 ","pages":"Article 112743"},"PeriodicalIF":4.3,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143776406","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}
引用次数: 0
Spectroscopic refinement of the Eu3+ ions enriched Alkaline-earth oxyfluoro ternary glasses for enhanced performance of red laser and optoelectronic applications
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-04-01 DOI: 10.1016/j.jpcs.2025.112746
T. Gayathri , G. Muralidharan , Upendra Kumar Kagola , Ranjib Kumar Padhi , P. Matheswaran , K. Marimuthu
{"title":"Spectroscopic refinement of the Eu3+ ions enriched Alkaline-earth oxyfluoro ternary glasses for enhanced performance of red laser and optoelectronic applications","authors":"T. Gayathri ,&nbsp;G. Muralidharan ,&nbsp;Upendra Kumar Kagola ,&nbsp;Ranjib Kumar Padhi ,&nbsp;P. Matheswaran ,&nbsp;K. Marimuthu","doi":"10.1016/j.jpcs.2025.112746","DOIUrl":"10.1016/j.jpcs.2025.112746","url":null,"abstract":"<div><div>The existing study scrutinizes the luminescence performance of the Eu<sup>3+</sup> enriched ternary (tri-formers B<sub>2</sub>O<sub>3</sub>, TeO<sub>2</sub>, Bi<sub>2</sub>O<sub>3</sub> involved) glasses modified with alkaline-earth elements in the form of oxides and fluorides. The ternary glasses with unique composition 64B<sub>2</sub>O<sub>3</sub>+15TeO<sub>2</sub> +20Bi<sub>2</sub>O<sub>3</sub>+1Eu<sub>2</sub>O<sub>3</sub> &amp; 44B<sub>2</sub>O<sub>3</sub>+15TeO<sub>2</sub>+20Bi<sub>2</sub>O<sub>3</sub>+20 M+1Eu<sub>2</sub>O<sub>3</sub> (where M = SrO, SrF<sub>2</sub>, BaO and BaF<sub>2</sub>) have been fabricated adopting melt-quench process. The physical traits were estimated to examine the structural and optical behavior of the glasses. The UV/Vis/NIR optical absorption was investigated to study the 4f−4f electronic transitions in detail and the bonding dynamics were tested through the nephelauxetic effect. The coherent trend Ω<sub>2</sub>&gt;Ω<sub>4</sub>&gt;Ω<sub>6</sub> observed in all the samples signifies the dominant asymmetric and covalence network amid Eu<sup>3+</sup> ions and the ligands. Using the PL spectra, the colorimetric studies were carried out to obtain the exact emission totality, and the host sensitive parameters are also estimated to verify the existing nature of the bonding network. To observe the potential candidate for lasing, the radiative parameters were assessed using Judd-Ofelt intensity parameters. The SrF<sub>2</sub> modifier incorporated glass display enhanced values of the radiative parameters which in turn confirms the suitability for red-light emission. Incorporating modifiers into the matrix enhances the radiative emission which in turn establishes the optical applications. The decay analysis revealed insights into the excited-state lifetimes, demonstrating a direct correlation between the Eu<sup>3+</sup> content and the radiative efficiency of the glasses. The quantum efficiency was observed as 75 % for the Eu:BTSrF glass which signals its aptness for optoelectronics applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"203 ","pages":"Article 112746"},"PeriodicalIF":4.3,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143767902","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}
引用次数: 0
Acoustic shock-driven porosity tuning in Strychnos potatorum carbon for advanced supercapacitor applications
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-04-01 DOI: 10.1016/j.jpcs.2025.112748
J. Jerries Infanta , P. Sivaprakash , C. Jesica Anjeline , N. Lakshminarasimhan , S.A.Martin Britto Dhas , S. Surendhar , Sonachalam Arumugam , Ikhyun Kim
{"title":"Acoustic shock-driven porosity tuning in Strychnos potatorum carbon for advanced supercapacitor applications","authors":"J. Jerries Infanta ,&nbsp;P. Sivaprakash ,&nbsp;C. Jesica Anjeline ,&nbsp;N. Lakshminarasimhan ,&nbsp;S.A.Martin Britto Dhas ,&nbsp;S. Surendhar ,&nbsp;Sonachalam Arumugam ,&nbsp;Ikhyun Kim","doi":"10.1016/j.jpcs.2025.112748","DOIUrl":"10.1016/j.jpcs.2025.112748","url":null,"abstract":"<div><div>The present study investigates the impact of controlled shock waves on developing porous activated carbons (ACs) derived from low-cost <em>Strychnos potatorum</em> (Clearing-Nut) seeds for supercapacitor applications. ACs were synthesized using high-temperature carbonization (HTC) followed by physical activation. Uniquely, the process incorporated controlled dynamic shock waves on SPAC (ambient), SPAC 100, SPAC 200, and SPAC 300 to investigate their influence on the AC properties. Characterization techniques including physicochemical and electrochemical revealed that the application of shock waves significantly enhanced the ACs’ capacitance. Notably, SP-AC200 exhibited the best performance, achieving a specific capacitance of 290 F/g in a three-electrode system with 1 M H<sub>2</sub>SO<sub>4</sub> electrolyte. Even in a two-electrode configuration, SPAC200 demonstrated an effective combination of high specific capacitance (118.3 F/g), energy density (23.1 Wh/Kg), and power density (583.09 W/kg). Additionally, SPAC200 displayed potential cyclic stability, retaining over 92.4 % of its capacitance after 10,000 cycles. This study highlights the potential of shock waves as a processing tool for fabricating high-performance supercapacitor electrodes from a sustainable and low-cost source.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"204 ","pages":"Article 112748"},"PeriodicalIF":4.3,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143785440","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}
引用次数: 0
Synthesis of MnOx catalysts via sucrose reduction deposition technique for efficient low-temperature NH3-SCR
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-04-01 DOI: 10.1016/j.jpcs.2025.112742
Zhenzhao Pei , Haiyang Zhao , Haipeng Wang , Runkang Dong , Shu Bu , Hao Wu , Lichun Shen
{"title":"Synthesis of MnOx catalysts via sucrose reduction deposition technique for efficient low-temperature NH3-SCR","authors":"Zhenzhao Pei ,&nbsp;Haiyang Zhao ,&nbsp;Haipeng Wang ,&nbsp;Runkang Dong ,&nbsp;Shu Bu ,&nbsp;Hao Wu ,&nbsp;Lichun Shen","doi":"10.1016/j.jpcs.2025.112742","DOIUrl":"10.1016/j.jpcs.2025.112742","url":null,"abstract":"<div><div>Air pollution is significantly affected by nitrogen oxides (NO<sub>x</sub>), and among various denitrification technologies, NH<sub>3</sub>-SCR is commonly regarded as the most potent one. In this research, a series of MnO<sub>x</sub>-1:a (where a = 1,3,5,10) catalysts were synthesized by controlling the molar ratios of KMnO<sub>4</sub> and sucrose using the sucrose reduction deposition method. Notably, the MnO<sub>x</sub>-1:5 catalysts demonstrated excellent N<sub>2</sub> selectivity and nearly 100 % NO<sub>x</sub> conversion within the extensive temperature range of 80–200 °C. Furthermore, the catalyst exhibited exceptional resistance to sulfur poisoning, maintaining over 90 % NO<sub>x</sub> conversion at 140 °C for more than 5 h with a concentration of 100 ppm SO<sub>2</sub> present. Additionally, at a molar ratio of 1:5 between sucrose and KMnO<sub>4</sub>, the catalyst prepared exhibited rich pore structures, which could effectively adsorb the reactive gases and facilitate the SCR reaction process. XPS analysis indicated that the MnO<sub>x</sub>-1:5 catalyst has more Mn<sup>4+</sup> and chemisorbed oxygen (O<sub>α</sub>), contributing to its enhanced reduction capacity. Moreover, the MnO<sub>x</sub>-1:5 catalyst has more acid content, which helps to absorb and activate the reactant molecules thereby facilitating the NH<sub>3</sub>-SCR reaction process. Therefore, the MnO<sub>x</sub>-1:5 catalyst demonstrates a wide operational temperature range, from 40 to 240 °C, and exhibits exceptional resistance to sulfur poisoning during the NH<sub>3</sub>-SCR reaction. The above results offer novel insights for the synthesis process of NH<sub>3</sub>-SCR low-temperature catalysts.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"203 ","pages":"Article 112742"},"PeriodicalIF":4.3,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143783079","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}
引用次数: 0
Synthesis and high pressure stability of novel GaGeO3OH compound - Analog of phase egg AlSiO3OH
IF 4.3 3区 材料科学
Journal of Physics and Chemistry of Solids Pub Date : 2025-03-30 DOI: 10.1016/j.jpcs.2025.112740
A.V. Spivak , A.V. Iskrina , T.V. Setkova , S.S. Khasanov , A.V. Kuzmin , E.S. Zakharchenko , P.S. Kvas , A.A. Viryus
{"title":"Synthesis and high pressure stability of novel GaGeO3OH compound - Analog of phase egg AlSiO3OH","authors":"A.V. Spivak ,&nbsp;A.V. Iskrina ,&nbsp;T.V. Setkova ,&nbsp;S.S. Khasanov ,&nbsp;A.V. Kuzmin ,&nbsp;E.S. Zakharchenko ,&nbsp;P.S. Kvas ,&nbsp;A.A. Viryus","doi":"10.1016/j.jpcs.2025.112740","DOIUrl":"10.1016/j.jpcs.2025.112740","url":null,"abstract":"<div><div>Gallogermanates have attracted sufficient attention as a high-pressure model of silicate and aluminosilicate due to chemical deformation of the structure. Thus, the GaGeO<sub>3</sub>OH compound can be considered as an analog of the phase Egg (AlSiO<sub>3</sub>OH), which is known as a possible H<sub>2</sub>O reservoir in the deep Earth's interior. We present a complex study (scanning electron microscopy, energy dispersive X-ray spectroscopy, powder X-ray diffraction, and Raman spectroscopy) on the synthetic GaGeO<sub>3</sub>OH compound. For the first time, the GaGeO<sub>3</sub>OH crystals (up to 10 μm in size) are synthesized at 7 GPa and 1000 °C. The unit cell parameters are: <em>a</em> = 7.5785(1), <em>b</em> = 4.4605(3), <em>c</em> = 7.2469(4) Å, <em>β</em> = 97.519(2) °, <em>V</em> = 242.87(02) Å<sup>3</sup>, space group <em>P</em>2<sub>1</sub>/<em>n</em>. Using <em>in situ</em> Raman spectroscopy at high pressures, the dependence of the shift in the position of the main bands of the GaGeO<sub>3</sub>OH Raman spectrum on the pressure was established. According to the data of Raman spectroscopy up to ⁓30 GPa, it was revealed that the GaGeO<sub>3</sub>OH undergoes the possible structural changes at ⁓4 and ⁓ 14 GPa.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"203 ","pages":"Article 112740"},"PeriodicalIF":4.3,"publicationDate":"2025-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143748003","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}
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