结构化学最新文献

英文中文

Interfacial engineering of core/satellite-structured RuP/RuP2 heterojunctions for enhancing pH-universal hydrogen evolution reaction

IF 5.9 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2025-01-01 DOI: 10.1016/j.cjsc.2024.100461

Lizhang Chen , Yu Fang , Mingxin Pang , Ruoxu Sun , Lin Xu , Qixing Zhou , Yawen Tang

Developing renewable hydrogen technologies requires high-efficiency pH-universal hydrogen evolution reaction (HER) electrocatalysts. Ruthenium phosphides (RuP_x) have great potentials to replace the commercial Pt-based materials, whereas the optimization of their electronic structure for favorable reaction intermediate adsorption remains a significant challenge. Herein, we report an innovative phosphorization-controlled strategy for the in-situ immobilization of core/satellite-structured RuP/RuP₂ heteronanoparticles onto N, P co-doped porous carbon nanosheets (abbreviated as RuP/RuP₂@N/P-CNSs hereafter). Density functional theory (DFT) calculations further reveal that the electron shuttling at the RuP/RuP₂ interface leads to a reduced energy barrier for H₂O dissociation by electron-deficient Ru atoms in the RuP and the optimized H∗ adsorption of electron-gaining Ru atoms in the RuP₂. Impressively, the as-synthesized RuP/RuP₂@N/P-CNSs exhibits low overpotentials of 8, 29, and 66 mV to achieve 10 mA cm⁻² in alkaline, acid and neutral media electrolyte, respectively. This research presents a viable approach to synthesize high-efficiency transition metal phosphide-based electrocatalysts and offers a deeper comprehension of interface effects for HER catalysis.

{"title":"Interfacial engineering of core/satellite-structured RuP/RuP2 heterojunctions for enhancing pH-universal hydrogen evolution reaction","authors":"Lizhang Chen , Yu Fang , Mingxin Pang , Ruoxu Sun , Lin Xu , Qixing Zhou , Yawen Tang","doi":"10.1016/j.cjsc.2024.100461","DOIUrl":"10.1016/j.cjsc.2024.100461","url":null,"abstract":"<div><div>Developing renewable hydrogen technologies requires high-efficiency pH-universal hydrogen evolution reaction (HER) electrocatalysts. Ruthenium phosphides (RuP<sub><em>x</em></sub>) have great potentials to replace the commercial Pt-based materials, whereas the optimization of their electronic structure for favorable reaction intermediate adsorption remains a significant challenge. Herein, we report an innovative phosphorization-controlled strategy for the <em>in-situ</em> immobilization of core/satellite-structured RuP/RuP<sub>2</sub> heteronanoparticles onto N, P co-doped porous carbon nanosheets (abbreviated as RuP/RuP<sub>2</sub>@N/P-CNSs hereafter). Density functional theory (DFT) calculations further reveal that the electron shuttling at the RuP/RuP<sub>2</sub> interface leads to a reduced energy barrier for H<sub>2</sub>O dissociation by electron-deficient Ru atoms in the RuP and the optimized H∗ adsorption of electron-gaining Ru atoms in the RuP<sub>2</sub>. Impressively, the as-synthesized RuP/RuP<sub>2</sub>@N/P-CNSs exhibits low overpotentials of 8, 29, and 66 mV to achieve 10 mA cm<sup>−2</sup> in alkaline, acid and neutral media electrolyte, respectively. This research presents a viable approach to synthesize high-efficiency transition metal phosphide-based electrocatalysts and offers a deeper comprehension of interface effects for HER catalysis.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"44 1","pages":"Article 100461"},"PeriodicalIF":5.9,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143151357","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

p-d orbital hybridization induced by CuGa2 promotes selective N2 electroreduction

IF 5.9 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2025-01-01 DOI: 10.1016/j.cjsc.2024.100468

Bin Chen , Chaoyang Zheng , Dehuan Shi, Yi Huang, Renxia Deng, Yang Wei, Zheyuan Liu, Yan Yu, Shenghong Zhong

In the quest to align with industrial benchmarks, a noteworthy gap remains in the field of electrochemical nitrogen fixation, particularly in achieving high Faradaic efficiency (FE) and yield. The electrocatalytic nitrogen fixation process faces considerable hurdles due to the difficulty in cleaving the highly stable N≡N triple bond. Additionally, the electrochemical pathway for nitrogen fixation is often compromised by the concurrent hydrogen evolution reaction (HER), which competes aggressively for electrons and active sites on the catalyst surface, thereby reducing the FE of nitrogen reduction reaction (NRR). To surmount these challenges, this study introduces an innovative bimetallic catalyst, CuGa₂, synthesized through p-d orbital hybridization to selectively facilitate N₂ electroreduction. This catalyst has demonstrated a remarkable NH₃ yield of 9.82 μg h⁻¹ cm⁻² and an associated FE of 38.25%. Our findings elucidate that the distinctive p-d hybridization interaction between Ga and Cu enhances NH₃ selectivity by reducing the reaction energy barrier for hydrogenation and suppressing hydrogen evolution. This insight highlights the significance of p-d orbital hybridization in optimizing the electrocatalytic performance of CuGa₂ for nitrogen fixation.

{"title":"p-d orbital hybridization induced by CuGa2 promotes selective N2 electroreduction","authors":"Bin Chen , Chaoyang Zheng , Dehuan Shi, Yi Huang, Renxia Deng, Yang Wei, Zheyuan Liu, Yan Yu, Shenghong Zhong","doi":"10.1016/j.cjsc.2024.100468","DOIUrl":"10.1016/j.cjsc.2024.100468","url":null,"abstract":"<div><div>In the quest to align with industrial benchmarks, a noteworthy gap remains in the field of electrochemical nitrogen fixation, particularly in achieving high Faradaic efficiency (FE) and yield. The electrocatalytic nitrogen fixation process faces considerable hurdles due to the difficulty in cleaving the highly stable N≡N triple bond. Additionally, the electrochemical pathway for nitrogen fixation is often compromised by the concurrent hydrogen evolution reaction (HER), which competes aggressively for electrons and active sites on the catalyst surface, thereby reducing the FE of nitrogen reduction reaction (NRR). To surmount these challenges, this study introduces an innovative bimetallic catalyst, CuGa<sub>2</sub>, synthesized through p-d orbital hybridization to selectively facilitate N<sub>2</sub> electroreduction. This catalyst has demonstrated a remarkable NH<sub>3</sub> yield of 9.82 μg h<sup>−1</sup> cm<sup>−2</sup> and an associated FE of 38.25%. Our findings elucidate that the distinctive p-d hybridization interaction between Ga and Cu enhances NH<sub>3</sub> selectivity by reducing the reaction energy barrier for hydrogenation and suppressing hydrogen evolution. This insight highlights the significance of p-d orbital hybridization in optimizing the electrocatalytic performance of CuGa<sub>2</sub> for nitrogen fixation.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"44 1","pages":"Article 100468"},"PeriodicalIF":5.9,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143151358","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

In-situ passivating surface defects of ultra-thin MAPbBr3 perovskite single crystal films for high performance photodetectors

IF 5.9 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2025-01-01 DOI: 10.1016/j.cjsc.2024.100454

Wenli Xu, Yingzhao Zhang, Rui Wang, Chenyang Liu, Jialin Liu, Xiangyu Huo, Xinying Liu, He Zhang, Jianxu Ding

Ultra-thin single crystal film (SCF) without grain boundary inherits low charge recombination probability as bulk single crystals. However, its low depth brings a high surface defect ratio and hinders the carrier transport and extraction, which affects the performance and stability of optoelectronic devices such as photodetectors, and thus surface defect passivation is of great practical significance. In this paper, we use the space confined method to grow MAPbBr₃ SCF and selected BA₂PbI₄ for surface defect passivation. The results reveal that BA cation passivates MA vacancy surface defects, reduces carrier recombination, and enhances carrier lifetime. The carrier mobility is as high as 33.6 cm² V⁻¹ s⁻¹, and the surface defect density is reduced to 3.4 × 10¹² cm⁻³. Therefore, the self-driven vertical MAPbBr₃ SCF photodetector after surface passivation exhibits more excellent optoelectronic performance.

{"title":"In-situ passivating surface defects of ultra-thin MAPbBr3 perovskite single crystal films for high performance photodetectors","authors":"Wenli Xu, Yingzhao Zhang, Rui Wang, Chenyang Liu, Jialin Liu, Xiangyu Huo, Xinying Liu, He Zhang, Jianxu Ding","doi":"10.1016/j.cjsc.2024.100454","DOIUrl":"10.1016/j.cjsc.2024.100454","url":null,"abstract":"<div><div>Ultra-thin single crystal film (SCF) without grain boundary inherits low charge recombination probability as bulk single crystals. However, its low depth brings a high surface defect ratio and hinders the carrier transport and extraction, which affects the performance and stability of optoelectronic devices such as photodetectors, and thus surface defect passivation is of great practical significance. In this paper, we use the space confined method to grow MAPbBr<sub>3</sub> SCF and selected BA<sub>2</sub>PbI<sub>4</sub> for surface defect passivation. The results reveal that BA cation passivates MA vacancy surface defects, reduces carrier recombination, and enhances carrier lifetime. The carrier mobility is as high as 33.6 cm<sup>2</sup> V<sup>−1</sup> s<sup>−1</sup>, and the surface defect density is reduced to 3.4 × 10<sup>12</sup> cm<sup>−3</sup>. Therefore, the self-driven vertical MAPbBr<sub>3</sub> SCF photodetector after surface passivation exhibits more excellent optoelectronic performance.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"44 1","pages":"Article 100454"},"PeriodicalIF":5.9,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143151360","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Atomically dispersed low-valent Au on poly(heptazine imide) boosts photocatalytic hydroxyl radical production 聚（庚嗪亚胺）上原子分散的低价金促进了光催化羟基自由基的产生

IF 5.9 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2024-12-01 DOI: 10.1016/j.cjsc.2024.100414

Yaxuan Jin, Chao Zhang, Guigang Zhang

引用次数: 0

Preparation of high-efficient donor-π-acceptor system with crystalline g-C3N4 as charge transfer module for enhanced photocatalytic hydrogen evolution

IF 5.9 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2024-12-01 DOI: 10.1016/j.cjsc.2024.100463

Guixu Pan , Zhiling Xia , Ning Wang , Hejia Sun , Zhaoqi Guo , Yunfeng Li , Xin Li

Donor-π-acceptor (D-π-A) type photocatalysts with g-C₃N₄ as π-module have attracted much attention due to their optimized conjugate structure and enhanced electron directed driving. However, the inefficient charge migration of g-C₃N₄ due to its amorphous or semi-crystalline structure and limitation of available functional groups are present challenges. In this work, the D-π-A type high crystalline carbon nitride (HCCN) has been obtained by in-situ introducing amide and cyanide groups into the high-crystallinity melon framework. The synergistic effect of functional group modification and crystallinity regulation greatly enhances the electron induction driving and charge carrier density. Moreover, the density functional theory (DFT) calculations demonstrate that the D-π-A structure could induce the local charge distribution of melon units to provide a unique and stable pathway for photoinduced charge migration. The as-prepared HCCN sample shows a superior visible-light photocatalytic performance for hydrogen evolution with an apparent quantum efficiency (AQE) of 12.2% at 420 ± 15 nm, which is 23.7 times higher than that of original g-C₃N₄. Finally, the charge separation and transfer processes as well as the possible photocatalytic reaction mechanisms of HCCN sample are also investigated.

{"title":"Preparation of high-efficient donor-π-acceptor system with crystalline g-C3N4 as charge transfer module for enhanced photocatalytic hydrogen evolution","authors":"Guixu Pan , Zhiling Xia , Ning Wang , Hejia Sun , Zhaoqi Guo , Yunfeng Li , Xin Li","doi":"10.1016/j.cjsc.2024.100463","DOIUrl":"10.1016/j.cjsc.2024.100463","url":null,"abstract":"<div><div>Donor-π-acceptor (D-π-A) type photocatalysts with g-C<sub>3</sub>N<sub>4</sub> as π-module have attracted much attention due to their optimized conjugate structure and enhanced electron directed driving. However, the inefficient charge migration of g-C<sub>3</sub>N<sub>4</sub> due to its amorphous or semi-crystalline structure and limitation of available functional groups are present challenges. In this work, the D-π-A type high crystalline carbon nitride (HCCN) has been obtained by <em>in-situ</em> introducing amide and cyanide groups into the high-crystallinity melon framework. The synergistic effect of functional group modification and crystallinity regulation greatly enhances the electron induction driving and charge carrier density. Moreover, the density functional theory (DFT) calculations demonstrate that the D-π-A structure could induce the local charge distribution of melon units to provide a unique and stable pathway for photoinduced charge migration. The as-prepared HCCN sample shows a superior visible-light photocatalytic performance for hydrogen evolution with an apparent quantum efficiency (AQE) of 12.2% at 420 ± 15 nm, which is 23.7 times higher than that of original g-C<sub>3</sub>N<sub>4</sub>. Finally, the charge separation and transfer processes as well as the possible photocatalytic reaction mechanisms of HCCN sample are also investigated.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"43 12","pages":"Article 100463"},"PeriodicalIF":5.9,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143161859","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Covalent organic frameworks: Synthesis, structures, characterizations and progress of photocatalytic reduction of CO2

IF 5.9 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2024-12-01 DOI: 10.1016/j.cjsc.2024.100466

Jiaqi Ma , Lan Li , Yiming Zhang , Jinjie Qian , Xusheng Wang

Covalent organic frameworks (COFs) are a class of stable two- or three-dimensional porous materials which are composed of ordered organic units connected by strong covalent bonds. Owing to their outstanding physical and chemical properties, COFs have garnered significant attention in recent years as promising candidates for photocatalytic reduction of CO₂. In this review, we will first summarize the synthesis and structures of COFs, then provide an overview of characterization techniques used for COFs, and finally systematically review recent research progress on the photocatalytic reduction of CO₂ using COFs. Fully understanding of the relations between COFs structures and photocatalytic CO₂ reduction would greatly enhance the further development of this emerging area. Herein we address this gap, aiming not only to provide the latest research progress of COFs materials in the photocatalytic reduction of CO₂ but also to summarize the advanced characterizations for COFs structures and illustrate how the structures guide the photocatalytic reduction of CO₂ performance.

{"title":"Covalent organic frameworks: Synthesis, structures, characterizations and progress of photocatalytic reduction of CO2","authors":"Jiaqi Ma , Lan Li , Yiming Zhang , Jinjie Qian , Xusheng Wang","doi":"10.1016/j.cjsc.2024.100466","DOIUrl":"10.1016/j.cjsc.2024.100466","url":null,"abstract":"<div><div>Covalent organic frameworks (COFs) are a class of stable two- or three-dimensional porous materials which are composed of ordered organic units connected by strong covalent bonds. Owing to their outstanding physical and chemical properties, COFs have garnered significant attention in recent years as promising candidates for photocatalytic reduction of CO<sub>2</sub>. In this review, we will first summarize the synthesis and structures of COFs, then provide an overview of characterization techniques used for COFs, and finally systematically review recent research progress on the photocatalytic reduction of CO<sub>2</sub> using COFs. Fully understanding of the relations between COFs structures and photocatalytic CO<sub>2</sub> reduction would greatly enhance the further development of this emerging area. Herein we address this gap, aiming not only to provide the latest research progress of COFs materials in the photocatalytic reduction of CO<sub>2</sub> but also to summarize the advanced characterizations for COFs structures and illustrate how the structures guide the photocatalytic reduction of CO<sub>2</sub> performance.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"43 12","pages":"Article 100466"},"PeriodicalIF":5.9,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143161884","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Charge transfer optimization: Role of Cu-graphdiyne/NiCoMoO4 S-scheme heterojunction and Ohmic junction

IF 5.9 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2024-12-01 DOI: 10.1016/j.cjsc.2024.100458

Yihu Ke , Shuai Wang , Fei Jin , Guangbo Liu , Zhiliang Jin , Noritatsu Tsubaki

The effective separation ability of photogenerated carriers plays a crucial role in catalytic hydrogen production. Establishing a heterojunction structure is an effective means to overcome the limited carrier separation ability of some single catalysts. In this paper, Cu, graphdiyne (GDY) and NiCoMoO₄ are successfully coupled to construct a composite photocatalyst NCY-15%. The addition of sheet GDY effectively prevents the aggregation of NiCoMoO₄, increases the number of active sites, and enhances the light-trapping ability of the composite catalyst. The synergistic interaction of S-scheme heterojunction and Ohmic junction heterojunction between Cu, GDY and NiCoMoO₄ provides a unique transfer pathway for electrons, facilitating the rapid separation of photogenerated carriers and accelerating electron transfer, while retaining electrons with strong reducing capacity to participate in hydrogen production, thereby increasing the hydrogen evolution rate. This provides a new way for the development of GDY based photocatalysts.

{"title":"Charge transfer optimization: Role of Cu-graphdiyne/NiCoMoO4 S-scheme heterojunction and Ohmic junction","authors":"Yihu Ke , Shuai Wang , Fei Jin , Guangbo Liu , Zhiliang Jin , Noritatsu Tsubaki","doi":"10.1016/j.cjsc.2024.100458","DOIUrl":"10.1016/j.cjsc.2024.100458","url":null,"abstract":"<div><div>The effective separation ability of photogenerated carriers plays a crucial role in catalytic hydrogen production. Establishing a heterojunction structure is an effective means to overcome the limited carrier separation ability of some single catalysts. In this paper, Cu, graphdiyne (GDY) and NiCoMoO<sub>4</sub> are successfully coupled to construct a composite photocatalyst NCY-15%. The addition of sheet GDY effectively prevents the aggregation of NiCoMoO<sub>4</sub>, increases the number of active sites, and enhances the light-trapping ability of the composite catalyst. The synergistic interaction of S-scheme heterojunction and Ohmic junction heterojunction between Cu, GDY and NiCoMoO<sub>4</sub> provides a unique transfer pathway for electrons, facilitating the rapid separation of photogenerated carriers and accelerating electron transfer, while retaining electrons with strong reducing capacity to participate in hydrogen production, thereby increasing the hydrogen evolution rate. This provides a new way for the development of GDY based photocatalysts.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"43 12","pages":"Article 100458"},"PeriodicalIF":5.9,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143161858","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Selective adsorption of organic dyes and iodine by a two-dimensional cobalt(II) metal-organic framework 二维钴（II）金属有机框架对有机染料和碘的选择性吸附

IF 5.9 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2024-12-01 DOI: 10.1016/j.cjsc.2024.100427

Muhammad Riaz , Rakesh Kumar Gupta , Di Sun , Mohammad Azam , Ping Cui

The development of effective adsorbent materials for capturing organic dyes and iodine is crucial to reduce the environmental impact and ensure human health. In this context, a two-dimensional (2D) Co₃-based metal-organic framework SDU-CP-7 (SDU = Shandong University, CP = coordination polymer) was rationally designed with 4-(4-carboxyphenyl)-1,2,4-triazole (Hcpt) and 2,4,6-tri(4-pyridinyl)-1,3,5-triazine (tpt) as organic linkers. The SDU-CP-7 was comprehensively characterized using single-crystal X-ray diffraction analysis, thermogravimetric analysis, Fourier transform infrared spectroscopy, Raman spectroscopy, powder X-ray diffraction analysis and UV-vis spectroscopy. Molecular docking was conducted to elucidate potential binding sites on SDU-CP-7 for effective interactions with RhB and ST. Featuring negatively charged surface and trigonal microporous channels, SDU-CP-7 exhibits excellent adsorption capacities for organic dyes (919.2 mg/g for Rhodamine B and 1565 mg/g for Safranine T) as well as iodine (563.0 mg/g in solution and 1100 mg/g in the vapor phase). The exceptional adsorption performance of SDU-CP-7 for cationic dyes can be ascribed to the electrostatic interaction facilitated by negatively charged zeta potential and the size-matching principle, whereas the pyridine active sites in channels significantly enhance the binding affinity for iodine. Moreover, SDU-CP-7 can serve as chromatographic column filters for the rapid adsorption and separation of dyes. The results demonstrate excellent selective adsorption performance of SDU-CP-7, highlighting its potential for environmental and industrial applications.

开发捕捉有机染料和碘的有效吸附材料对于减少环境影响和确保人类健康至关重要。在此背景下，以 4-(4-羧基苯基)-1,2,4-三唑（Hcpt）和 2,4,6-三(4-吡啶基)-1,3,5-三嗪（tpt）为有机连接体，合理设计了一种二维（2D）Co 基金属有机框架 SDU-CP-。使用单晶 X 射线衍射分析、热重分析、傅立叶变换红外光谱、喇曼光谱、粉末 X 射线衍射分析和紫外可见光谱对 SDU-CP- 进行了全面表征。通过分子对接，阐明了 SDU-CP- 与 RhB 和 ST 有效相互作用的潜在结合位点。SDU-CP- 具有带负电荷的表面和三棱形微孔通道，对有机染料（罗丹明 B 为 919.2 毫克/克，莎呋宁 T 为 1565 毫克/克）和碘（溶液中为 563.0 毫克/克，气相中为 1100 毫克/克）具有出色的吸附能力。SDU-CP- 对阳离子染料的优异吸附性能可归因于带负电的 Zeta 电位和尺寸匹配原理所促进的静电相互作用，而通道中的吡啶活性位点则显著增强了对碘的结合亲和力。此外，SDU-CP- 还可用作色谱柱过滤器，用于快速吸附和分离染料。研究结果表明，SDU-CP- 具有出色的选择性吸附性能，在环境和工业应用方面具有巨大潜力。

{"title":"Selective adsorption of organic dyes and iodine by a two-dimensional cobalt(II) metal-organic framework","authors":"Muhammad Riaz , Rakesh Kumar Gupta , Di Sun , Mohammad Azam , Ping Cui","doi":"10.1016/j.cjsc.2024.100427","DOIUrl":"10.1016/j.cjsc.2024.100427","url":null,"abstract":"<div><div>The development of effective adsorbent materials for capturing organic dyes and iodine is crucial to reduce the environmental impact and ensure human health. In this context, a two-dimensional (2D) Co<sub>3</sub>-based metal-organic framework SDU-CP-<strong>7</strong> (SDU = Shandong University, CP = coordination polymer) was rationally designed with 4-(4-carboxyphenyl)-1,2,4-triazole (Hcpt) and 2,4,6-tri(4-pyridinyl)-1,3,5-triazine (tpt) as organic linkers. The SDU-CP-<strong>7</strong> was comprehensively characterized using single-crystal X-ray diffraction analysis, thermogravimetric analysis, Fourier transform infrared spectroscopy, Raman spectroscopy, powder X-ray diffraction analysis and UV-vis spectroscopy. Molecular docking was conducted to elucidate potential binding sites on SDU-CP-<strong>7</strong> for effective interactions with RhB and ST. Featuring negatively charged surface and trigonal microporous channels, SDU-CP-<strong>7</strong> exhibits excellent adsorption capacities for organic dyes (919.2 mg/g for Rhodamine B and 1565 mg/g for Safranine T) as well as iodine (563.0 mg/g in solution and 1100 mg/g in the vapor phase). The exceptional adsorption performance of SDU-CP-<strong>7</strong> for cationic dyes can be ascribed to the electrostatic interaction facilitated by negatively charged zeta potential and the size-matching principle, whereas the pyridine active sites in channels significantly enhance the binding affinity for iodine. Moreover, SDU-CP-<strong>7</strong> can serve as chromatographic column filters for the rapid adsorption and separation of dyes. The results demonstrate excellent selective adsorption performance of SDU-CP-<strong>7</strong>, highlighting its potential for environmental and industrial applications.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"43 12","pages":"Article 100427"},"PeriodicalIF":5.9,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142266452","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Graphene quantum dot modified Bi2MoO6 nanoflower for efficient degradation of BPA under visible light

IF 5.9 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2024-12-01 DOI: 10.1016/j.cjsc.2024.100473

Xin Wang , Changzhao Chen , Qishen Wang , Kai Dai

Graphene quantum dots (GQDs) are a novel type of carbon dot material that has significant application value in the field of catalysis due to their non-toxic, stable, abundant surface functional groups, and quantum confinement effects. A unique composite photocatalyst was constructed by modifying GQDs onto Bi₂MoO₆ (BMO) microsphere-shaped nano petals using simple hydrothermal and sintering techniques. The structural and morphological characterization results indicate that GQDs with the size of 10 nm are well dispersed on BMO nanosheets, forming close contacts, which can greatly improve the separation efficiency of photo-generated electron-hole pairs under visible light irradiation. In the evaluation of the catalytic performance of BPA solution (20 mg/L) with a catalyst content of 20 mg under a simulated light source with a power of 300 W, the best degradation performance was achieved by a photocatalyst (G6/BMO) with the GQDs mass ratio of 6%, which degraded over 95% of BPA under visible light within 120 min, while pure BMO only degraded about 45% of BPA during the same time period. Even if the 400 nm filter is removed and directly exposed to Xe lamp radiation, the degradation performance of the optimal composite catalyst is only slightly improved, indicating that the current GQDs/BMO composite catalyst has extremely strong visible light catalytic activity. The improvement of catalytic performance comes from the effective separation of electron-hole pairs caused by the absorption of electrons by GQDs, and the introduction of GQDs to reduce the band gap and enhance visible light absorption, both of which are beneficial for catalytic reactions. Free radical capture and electron spin resonance (ESR) tests indicate that ·OH and ·O₂⁻ are the main active species for BPA degradation. Although the current GQDs/BMO catalysts have a simple structure, their catalytic performance has significantly improved, which will guide the design of other semiconductor based photocatalysts.

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引用次数: 0

Novel visible-light-driven I− doped Bi2O2CO3 nano-sheets fabricated via an ion exchange route for dye and phenol removal

IF 5.9 4区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

结构化学

Pub Date : 2024-12-01 DOI: 10.1016/j.cjsc.2024.100462

Guanyang Zeng , Xingqiang Liu , Liangqiao Wu , Zijie Meng , Debin Zeng , Changlin Yu

Here, we report a novel visible-light-driven I⁻ doped Bi₂O₂CO₃ nano-sheet photocatalyst synthesized via a facile ion exchange route at room temperature. This obtained Bi₂O₂CO₃ nano-sheet with I⁻ doping shows several advantages. The specific surface area of I_0.875-Bi₂O₂CO₃ is 2.16 times higher than that of Bi₂O₂CO₃, providing more catalytic sites for the degradation reactions. Moreover, a 3.2 times photocurrent enhancement is observed in I_0.875-Bi₂O₂CO₃ compared with Bi₂O₂CO₃, producing more photogenerated electron-hole pairs for degradation. The synergistic effect between texture property and photoelectric effect boosts the removal of organic pollutants. Under visible light illumination, I_0.875-Bi₂O₂CO₃ displays superior photocatalytic performance for the degradation of methyl orange (MO) and phenol. Notably, a phenol degradation rate, 88%, is achieved by I_0.875-Bi₂O₂CO₃ with illuminating for 60 min, which is about 29 times higher than that of pristine Bi₂O₂CO₃. This finding may provide an opportunity to develop a promising I⁻ doped catalyst for organic pollutants removal.

{"title":"Novel visible-light-driven I− doped Bi2O2CO3 nano-sheets fabricated via an ion exchange route for dye and phenol removal","authors":"Guanyang Zeng , Xingqiang Liu , Liangqiao Wu , Zijie Meng , Debin Zeng , Changlin Yu","doi":"10.1016/j.cjsc.2024.100462","DOIUrl":"10.1016/j.cjsc.2024.100462","url":null,"abstract":"<div><div>Here, we report a novel visible-light-driven I<sup>−</sup> doped Bi<sub>2</sub>O<sub>2</sub>CO<sub>3</sub> nano-sheet photocatalyst synthesized <em>via</em> a facile ion exchange route at room temperature. This obtained Bi<sub>2</sub>O<sub>2</sub>CO<sub>3</sub> nano-sheet with I<sup>−</sup> doping shows several advantages. The specific surface area of I<sub>0.875</sub>-Bi<sub>2</sub>O<sub>2</sub>CO<sub>3</sub> is 2.16 times higher than that of Bi<sub>2</sub>O<sub>2</sub>CO<sub>3</sub>, providing more catalytic sites for the degradation reactions. Moreover, a 3.2 times photocurrent enhancement is observed in I<sub>0.875</sub>-Bi<sub>2</sub>O<sub>2</sub>CO<sub>3</sub> compared with Bi<sub>2</sub>O<sub>2</sub>CO<sub>3</sub>, producing more photogenerated electron-hole pairs for degradation. The synergistic effect between texture property and photoelectric effect boosts the removal of organic pollutants. Under visible light illumination, I<sub>0.875</sub>-Bi<sub>2</sub>O<sub>2</sub>CO<sub>3</sub> displays superior photocatalytic performance for the degradation of methyl orange (MO) and phenol. Notably, a phenol degradation rate, 88%, is achieved by I<sub>0.875</sub>-Bi<sub>2</sub>O<sub>2</sub>CO<sub>3</sub> with illuminating for 60 min, which is about 29 times higher than that of pristine Bi<sub>2</sub>O<sub>2</sub>CO<sub>3</sub>. This finding may provide an opportunity to develop a promising I<sup>−</sup> doped catalyst for organic pollutants removal.</div></div>","PeriodicalId":10151,"journal":{"name":"结构化学","volume":"43 12","pages":"Article 100462"},"PeriodicalIF":5.9,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143161856","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

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