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Retraction: Magnetic nanoparticles modified with a copper(i) complex as a novel and efficient reusable catalyst for A3 coupling leading to C–N bond formation 缩回:磁性纳米颗粒与铜(i)配合物修饰,作为一种新的和有效的可重复使用的催化剂,A3偶联导致C-N键的形成
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-05-19 DOI: 10.1039/D5RA90059J
Wei Li, Jinlong Yan, Wenjing Xu and Li Yan Zhang
{"title":"Retraction: Magnetic nanoparticles modified with a copper(i) complex as a novel and efficient reusable catalyst for A3 coupling leading to C–N bond formation","authors":"Wei Li, Jinlong Yan, Wenjing Xu and Li Yan Zhang","doi":"10.1039/D5RA90059J","DOIUrl":"https://doi.org/10.1039/D5RA90059J","url":null,"abstract":"<p >Retraction of ‘Magnetic nanoparticles modified with a copper(<small>I</small>) complex as a novel and efficient reusable catalyst for A<small><sup>3</sup></small> coupling leading to C–N bond formation’ by Wei Li <em>et al.</em>, <em>RSC Adv.</em>, 2023, <strong>13</strong>, 28964–28974. https://doi.org/10.1039/D3RA04871C.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 21","pages":" 16622-16622"},"PeriodicalIF":3.9,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra90059j?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144084820","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Ion-modulated graphene oxide and GO@MXene hydrogels: enhanced adsorption performance and stability for methylene blue removal† 离子调制氧化石墨烯和GO@MXene水凝胶:增强吸附性能和稳定性的亚甲基蓝去除†
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-05-19 DOI: 10.1039/D5RA02422F
Xiaojing Chen, Jia Li, Caojie Zhao, Wen Zhou, Jin Yang, Qingjun Liu and Wenshuai Jiang
{"title":"Ion-modulated graphene oxide and GO@MXene hydrogels: enhanced adsorption performance and stability for methylene blue removal†","authors":"Xiaojing Chen, Jia Li, Caojie Zhao, Wen Zhou, Jin Yang, Qingjun Liu and Wenshuai Jiang","doi":"10.1039/D5RA02422F","DOIUrl":"https://doi.org/10.1039/D5RA02422F","url":null,"abstract":"<p >Ion cross-linking is often used to prepare graphene hydrogels, but the effects of different ion introductions on the properties of graphene hydrogels need to be further explored. In this study, graphene oxide (GO) and GO@MXene non-spherical hydrogels were prepared by introducing different ions, and their adsorption effects on methylene blue (MB) were discussed to determine their feasibility in water treatment. The adsorption efficiencies were significantly variable because the introduction of different ions had different effects on the internal structure and molding process of the hydrogels. The GO and GO@MXene hydrogels crosslinked with Ca<small><sup>2+</sup></small> demonstrated superior MB adsorption performance compared to those prepared with K<small><sup>+</sup></small> and Al<small><sup>3+</sup></small>, achieving 85.2% and 85.8% MB removal efficiencies within 9 hours, respectively. Interestingly, the morphology of the hydrogel can be changed by adjusting the drop height, which in turn affects the MB adsorption. The results showed that hydrogels had faster MB removal by preparing them from a higher height (3.5 cm). The results demonstrated that hydrogels prepared from a higher droplet fall height (3.5 cm) exhibited accelerated MB removal, with a 10–20% enhancement in removal efficiency. In addition, the effects of pH and contact time on the adsorption performance of the hydrogels were investigated. The results showed that the best removal effect was achieved under neutral conditions, and the adsorption process was consistent with the pseudo-quadratic kinetic model (<em>R</em><small><sup>2</sup></small> &gt; 0.97). In addition, we found that the introduction of MXene enhanced the water stability of the hydrogels, which increased with the metal ion valence number. Furthermore, our study demonstrated that Ca<small><sup>2+</sup></small>-crosslinked GO and GO@MXene hydrogels exhibit excellent selective adsorption of cationic dyes, achieving MB removal efficiencies of 96.6% and 98.3% in mixed dye systems, respectively. This study not only confirms that the introduction of ions can affect the properties of hydrogels by modulating their morphology, but also provides potential candidates for MB adsorption.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 21","pages":" 16597-16606"},"PeriodicalIF":3.9,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra02422f?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144084826","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
MnO2-decorated graphene oxide nanosheet composites as promising electrode materials for lithium-ion battery energy storage applications 二氧化锰修饰的氧化石墨烯纳米片复合材料是锂离子电池储能应用的极具前景的电极材料
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-05-19 DOI: 10.1039/D5RA02093J
Yen Kim Nguyen Chuong, Vu Van Thang, Thuy Trang Thi Vuong, Phat Tan Vu, Thi Viet Bac Phung, Long Phi Nguyen and Phung My Loan Le
{"title":"MnO2-decorated graphene oxide nanosheet composites as promising electrode materials for lithium-ion battery energy storage applications","authors":"Yen Kim Nguyen Chuong, Vu Van Thang, Thuy Trang Thi Vuong, Phat Tan Vu, Thi Viet Bac Phung, Long Phi Nguyen and Phung My Loan Le","doi":"10.1039/D5RA02093J","DOIUrl":"https://doi.org/10.1039/D5RA02093J","url":null,"abstract":"<p >This study reports the synthesis of graphene oxide nanosheets (GNs) through a simple one-step electrochemical exfoliation method, followed by the decoration of manganese dioxide (MnO<small><sub>2</sub></small>) on the GNs using a fast, straightforward wet-chemical process. The results show that MnO<small><sub>2</sub></small> nanosheets are uniformly dispersed on the surface of the graphene oxide, preventing the aggregation of the nanosheets. Among the samples tested, the GM005 composite exhibited the best performance, demonstrating a specific capacity of 382.1 mA h g<small><sup>−1</sup></small> after 100 cycles at 0.5 A g<small><sup>−1</sup></small>, making it a promising anode material for lithium-ion batteries. The enhanced electrochemical performance of the GNs@MnO<small><sub>2</sub></small> composite is attributed to the synergistic effect between the highly conductive graphene oxide nanosheets and flower-structure MnO<small><sub>2</sub></small>. These findings suggest that GNs@MnO<small><sub>2</sub></small> could be a viable electrode material for advanced lithium-ion battery technologies.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 20","pages":" 16015-16027"},"PeriodicalIF":3.9,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra02093j?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144084817","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Nanobubbles in graphene oxide synthesis: investigation of structure and physicochemical properties with boosting of oxygen content and microporous surface area† 氧化石墨烯合成中的纳米气泡:随着氧含量和微孔表面积的增加,结构和物理化学性质的研究
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-05-19 DOI: 10.1039/D5RA02336J
Konstantinos N. Maroulas, Nick Vordos, Athanasios C. Mitropoulos and George Z. Kyzas
{"title":"Nanobubbles in graphene oxide synthesis: investigation of structure and physicochemical properties with boosting of oxygen content and microporous surface area†","authors":"Konstantinos N. Maroulas, Nick Vordos, Athanasios C. Mitropoulos and George Z. Kyzas","doi":"10.1039/D5RA02336J","DOIUrl":"https://doi.org/10.1039/D5RA02336J","url":null,"abstract":"<p >The present work reports an innovative modification of graphene oxide (GO) using air nanobubbles (NBs). A comprehensive set of characterizations, including Raman spectroscopy, FTIR, XRD, SEM, porosimetry, and SAXS, confirmed the improved structural features and functional groups. A notable increase in the specific surface area to the value of 109.4 m<small><sup>2</sup></small> (2.5-fold) was achieved through incorporation of the NBs, along with the introduction of microporosity, which significantly improved ion diffusion kinetics relative to previous methodologies. FTIR analyses confirmed the rise in oxygenated functional groups, mostly C–O entities, which improved the surface reactivity of GO@NBs. XRD confirmed the increase in crystallinity as well as greater crystal size in GO@NBs, while SAXS confirmed the structural integrity as well as material porosity. Air NBs, therefore, impact the physicochemical properties of GO extensively and reveal significant opportunities for energy storage, catalysis, and remediation.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 21","pages":" 16525-16531"},"PeriodicalIF":3.9,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra02336j?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144084833","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
New spirooxindole pyrrolidine/pyrrolizidine analogs: design, synthesis, and evaluation as an anticancer agent† 新型螺罗吲哚吡咯烷/吡咯lizidine类似物:抗癌剂的设计、合成和评价
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-05-19 DOI: 10.1039/D5RA01632K
Narayanasamy Nivetha, Janarthanan Venkatesan, Dhanashree Murugan, Loganathan Rangasamy, Shu Pao Wu and Sivan Velmathi
{"title":"New spirooxindole pyrrolidine/pyrrolizidine analogs: design, synthesis, and evaluation as an anticancer agent†","authors":"Narayanasamy Nivetha, Janarthanan Venkatesan, Dhanashree Murugan, Loganathan Rangasamy, Shu Pao Wu and Sivan Velmathi","doi":"10.1039/D5RA01632K","DOIUrl":"https://doi.org/10.1039/D5RA01632K","url":null,"abstract":"<p >A novel series of mesitylene-based spirooxindoles were synthesized <em>via</em> the multicomponent [3 + 2] cycloaddition reaction in a greener medium. Spectroscopic techniques such as <small><sup>1</sup></small>H and <small><sup>13</sup></small>C NMR and HRMS analysis were carried out for the structural elucidation of all the spirooxindole derivatives. The <em>in vitro</em> cytotoxicity properties of spirooxindole analogs <strong>4/5(a–g)</strong> against the human lung (A549) cancer cell line exhibited encouraging outcomes. Of the fourteen synthesized spirooxindole analogs, seven compounds (<strong>4a</strong>, <strong>4b</strong>, <strong>4e</strong>, <strong>4g</strong>, <strong>5c</strong>, <strong>5e</strong>, and <strong>5f</strong>) showed greater potency towards the A549 lung cancer cell line. The cytotoxicity of the spirooxindole analogs was also investigated against a non-cancerous mouse embryonic fibroblast NIH-3T3 cell line. Compounds <strong>5e</strong> and <strong>5f</strong>, which exhibited better cytotoxic effect against the cancerous A549 cells (3.48 and 1.2 μM), appeared to be non-cytotoxic against the non-cancerous mouse embryonic fibroblast. Studies using Hoechst and acridine orange/ethidium bromide staining also demonstrated the apoptotic effect of the potent compounds, which decreased cell proliferation.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 21","pages":" 16623-16634"},"PeriodicalIF":3.9,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra01632k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144084818","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Mechanistic insights into the visible light photocatalytic activity of g-C3N4/Bi2O2CO3–Bi4O7 composites for rhodamine B degradation and hexavalent chromium reduction† g-C3N4/ Bi2O2CO3-Bi4O7复合材料降解罗丹明B和还原六价铬的可见光催化活性机理研究
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-05-19 DOI: 10.1039/D5RA00969C
Aleena Majeed, Samna Hassan, Musarrat Zahra, Iqra Rafique, Sajid Iqbal, Munib Ahmad Shafiq, Rashid Nazir Qureshi, Ramzan Akhtar, Muhammad Rehan, Mohsin Ali Raza Anjum, Sheeraz Mehboob, Jaweria Ambreen, Jae Ho Yun and Muhammad Saifullah
{"title":"Mechanistic insights into the visible light photocatalytic activity of g-C3N4/Bi2O2CO3–Bi4O7 composites for rhodamine B degradation and hexavalent chromium reduction†","authors":"Aleena Majeed, Samna Hassan, Musarrat Zahra, Iqra Rafique, Sajid Iqbal, Munib Ahmad Shafiq, Rashid Nazir Qureshi, Ramzan Akhtar, Muhammad Rehan, Mohsin Ali Raza Anjum, Sheeraz Mehboob, Jaweria Ambreen, Jae Ho Yun and Muhammad Saifullah","doi":"10.1039/D5RA00969C","DOIUrl":"https://doi.org/10.1039/D5RA00969C","url":null,"abstract":"<p >The two-dimensional layered structure of g-C<small><sub>3</sub></small>N<small><sub>4</sub></small> (GCN) has drawn a lot of attention in the field of photocatalysis due to its good thermochemical stability, large surface area, and environmental friendliness. A wide bandgap of GCN restricts its absorption to UV light and a limited portion of visible light; therefore, its bandgap engineering by coupling it with a suitable semiconductor can offer the utilization of a wider spectrum of incident light and a lower electron–hole recombination rate. In this study, GCN is coupled with mixed-phase Bi<small><sub>2</sub></small>O<small><sub>2</sub></small>CO<small><sub>3</sub></small>–Bi<small><sub>4</sub></small>O<small><sub>7</sub></small> (BO) in different weight percentages (wt%) to find the optimal loading of BO for maximum photocatalytic degradation. The XRD analysis confirms the preparation of GCN, BO, and g-C<small><sub>3</sub></small>N<small><sub>4</sub></small>/Bi<small><sub>2</sub></small>O<small><sub>2</sub></small>CO<small><sub>3</sub></small>–Bi<small><sub>4</sub></small>O<small><sub>7</sub></small> composites. The g-C<small><sub>3</sub></small>N<small><sub>4</sub></small>/Bi<small><sub>2</sub></small>O<small><sub>2</sub></small>CO<small><sub>3</sub></small>–Bi<small><sub>4</sub></small>O<small><sub>7</sub></small> composite with 24 wt% of BO (CN/BO-24) demonstrates 92.3% rhodamine B (RhB) dye degradation in 25 min under visible light irradiation, which is considerably higher compared with the corresponding % degradation realized with pristine GCN (73.4%) and BO (9.4%). The improved performance of the composite with optimal loading of BO is attributed to the reduced recombination rate of photo-generated electrons and holes, as confirmed by photoluminescence analysis, and utilization of a wider spectrum of incident light. Photo-degradation experiments performed with different scavengers reveal that peroxide radicals and holes play a decisive role in the degradation of RhB using the best composite sample (CN/BO-24). The potential of the CN/BO-24 ternary composite for the photoreduction of Cr(<small>VI</small>) is also explored. The fabricated composite holds promising potential in water treatment and environmental remediation.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 21","pages":" 16643-16653"},"PeriodicalIF":3.9,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra00969c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144084822","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Chitin nanofibers: recent advances in preparation and applications in biomedical and beyond 几丁质纳米纤维的制备及其在生物医学及其他领域的应用进展
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-05-19 DOI: 10.1039/D4RA06937D
M. Ariful Islam, M. Nahid Hasan, M. Sadik Hussain Evan, M. Jalal Uddin, Wahid Salekin Tulin, M. Saydul Islam, Mayeen Uddin Khandaker, Ismail M. M. Rahman and Faisal I. Chowdhury
{"title":"Chitin nanofibers: recent advances in preparation and applications in biomedical and beyond","authors":"M. Ariful Islam, M. Nahid Hasan, M. Sadik Hussain Evan, M. Jalal Uddin, Wahid Salekin Tulin, M. Saydul Islam, Mayeen Uddin Khandaker, Ismail M. M. Rahman and Faisal I. Chowdhury","doi":"10.1039/D4RA06937D","DOIUrl":"https://doi.org/10.1039/D4RA06937D","url":null,"abstract":"<p >Chitin and chitosan-based nanofibers (ChNFs), derived from renewable sources, have emerged as promising biomaterials due to their unique properties such as high surface area, porosity, biocompatibility, and biodegradability. This review provides a comprehensive overview of ChNF extraction and synthesis, focusing on both top-down and bottom-up approaches. A comparative analysis of these methods is presented, highlighting the challenges, opportunities, environmental impact, cost-effectiveness, and quality consistency associated with each. The advantages of ChNFs over similar nanomaterials are elucidated, emphasizing their diverse applications in biomedical and environmental fields. Biomedical applications include drug delivery, tissue engineering, cancer treatment, wound healing, and biosensing. Environmental applications encompass water treatment, air filtration, agriculture, and biodegradable packaging. Despite their potential, challenges remain, including low solubility, unstable mechanical properties, and inconsistent quality, which limit their widespread use. This review also examines recent advancements in ChNF research, aiming to guide the development of efficient and environmentally friendly synthesis methods. By encouraging innovation in ChNF-based nanotechnologies, this research contributes to a more sustainable future.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 19","pages":" 14655-14690"},"PeriodicalIF":3.9,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra06937d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144084824","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Design, synthesis and antifungal activity of novel matrine-hydroxamic acid derivatives containing benzene sulfonamide† 含苯磺酰胺的新型苦参-羟肟酸衍生物的设计、合成及抗真菌活性研究
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-05-19 DOI: 10.1039/D5RA01689D
Suzhen Yan, Jamal A. H. Kowah, Qingfeng Long, Qian Liu, Hanqing Zhang, Siying Lu, Lisheng Wang and Haixia Yu
{"title":"Design, synthesis and antifungal activity of novel matrine-hydroxamic acid derivatives containing benzene sulfonamide†","authors":"Suzhen Yan, Jamal A. H. Kowah, Qingfeng Long, Qian Liu, Hanqing Zhang, Siying Lu, Lisheng Wang and Haixia Yu","doi":"10.1039/D5RA01689D","DOIUrl":"https://doi.org/10.1039/D5RA01689D","url":null,"abstract":"<p >To address the urgent need for novel antibacterial drugs, herein, a series of 27 novel matrine derivatives incorporating hydroxamic acid and benzene sulfonamide moieties were designed and synthesized. Antimicrobial testing demonstrated exceptional inhibitory activity against <em>Candida albicans</em>, with the most potent compound (<strong>10g</strong>) showing a MIC value of 0.062 mg mL<small><sup>−1</sup></small>, which was significantly lower than that of the clinical antibiotic fluconazole (8.590 mg mL<small><sup>−1</sup></small>). 3D-QSAR analysis identified the phenylsulfonyl group as crucial for activity, particularly when substituted with a 4-(CH<small><sub>3</sub></small>)<small><sub>3</sub></small> group. The hydroxamic acid moiety was also found to contribute positively to the antifungal effects. Mechanistic studies indicated that these compounds act by both preventing biofilm formation and disrupting established biofilms. Furthermore, molecular docking studies of compounds <strong>9j</strong> and <strong>10g</strong> with fungal proteins (PDB: 2QZX) revealed that their antifungal activity involves multiple interactions, including hydrogen bonding, hydrophobic interactions, and van der Waals forces. These findings position compound <strong>10g</strong> as a particularly promising lead candidate for the development of new antifungal agents.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 21","pages":" 16510-16524"},"PeriodicalIF":3.9,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra01689d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144084834","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Theoretical study of electronic structure, lone pair localization, and electronic transport properties of unconventional bulk and 2D γ-SnSe and γ-SnS† 非常规体和二维γ-SnSe和γ-SnS†的电子结构、孤对局域化和电子输运性质的理论研究
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-05-16 DOI: 10.1039/D5RA01965F
Nguyen Truong Long, Huynh Anh Huy, Neeraj Mishra and Guy Makov
{"title":"Theoretical study of electronic structure, lone pair localization, and electronic transport properties of unconventional bulk and 2D γ-SnSe and γ-SnS†","authors":"Nguyen Truong Long, Huynh Anh Huy, Neeraj Mishra and Guy Makov","doi":"10.1039/D5RA01965F","DOIUrl":"https://doi.org/10.1039/D5RA01965F","url":null,"abstract":"<p >Tin-based monochalcogenides, particularly SnSe and SnS, are of growing interest due to their cost-effectiveness, environmental compatibility, and exceptional thermoelectric properties. Beyond the conventional α-<em>Pnma</em> phase, these materials can adopt alternative bulk and low-dimensional structures with distinct electronic and transport characteristics. The recent experimental discovery of a layered γ-<em>Pnma</em> SnSe phase in 2023 has further stimulated the search for novel structural allotropes within this family and the assessment of their electronic properties. In this study, we employ density functional theory to examine the structural stability, electronic structure, lone-pair characteristics, and thermoelectric performance of γ-SnS and γ-SnSe in both bulk and two-dimensional (2D) monolayer forms. Our results demonstrate that γ-SnSe and γ-SnS monolayers are thermodynamically stable and can be synthesized <em>via</em> mechanical exfoliation. Electronic structure analysis reveals a substantial band gap expansion in the 2D monolayers, increasing by a factor of 4 to 20 compared to the bulk. A detailed investigation of localized lone pairs in the 2D monolayers identifies two distinct p-state contribution schemes for γ- and α-monolayers, with a notable involvement of the Sn 5p state. Additionally, both bulk and monolayer γ-SnSe and γ-SnS exhibit large Seebeck coefficients and power factors, comparable to or exceeding those of the conventional α-<em>Pnma</em> phases.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 21","pages":" 16358-16374"},"PeriodicalIF":3.9,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra01965f?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144073503","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effect of annealing temperature on the electrical properties of IZO TFTs 退火温度对IZO tft电学性能的影响
IF 3.9 3区 化学
RSC Advances Pub Date : 2025-05-16 DOI: 10.1039/D5RA02132D
Zhengang Cai, Kamale Tuokedaerhan, Linyu Yang, Zhenhua Huang, Chaozhong Guo, Raikhan Azamat and Yerulan Sagidolda
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