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Through-Space vs Through-Bond Charge Transfer Fluorophores as Emitters for Efficient Blue Electroluminescent Devices
IF 2.6 4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-17 DOI: 10.1002/cnma.202400551
Suangsiri Arunlimsawat, Kasin Rueantong, Teerapat Itsoponpan, Wijitra Waengdongbung, Taweesak Sudyoadsuk, Vinich Promarak

Herein, we report the design, synthesis, and properties of two donor-π-acceptor (D-π-A) charge transfer fluorophores pursuing an efficient deep blue emitter for organic light-emitting diode (OLED). TCyCN and TPhCN comprise triphenylamine as a donor and benzonitrile as an acceptor connecting by either [2.2]paracyclophane (Cy) as a through-space π-linker or phenyl ring (Ph) as a through-bond π-linker, respectively. In thin film, TCyCN shows deep blue emission with moderate fluorescence efficiency, while TPhCN displays cyan blue emission with a high fluorescence efficiency. The two molecules feature hybridized local and charge-transfer states with good thermal stability and balanced charge transport properties. They are successfully employed as non-doped blue emissive layers in OLEDs. The TCyCN-based device emits deep blue light peaked at 425 nm (CIE coordinates of (0.157, 0.076)) with a moderate electroluminescent (EL) performance (EQEmax=3.23 % and CEmax=2.06 cd A−1), while the TPhCN-based device attains an excellent EL performance (EQEmax=6.24 % and CEmax=8.26 cd A−1) with cyan blue emission peaked at 490 nm. This work provides insight into the relationship between molecular design and properties of D-π-A emitters, offering a guideline for tailoring new organic compounds for organic optoelectronics.

{"title":"Through-Space vs Through-Bond Charge Transfer Fluorophores as Emitters for Efficient Blue Electroluminescent Devices","authors":"Suangsiri Arunlimsawat,&nbsp;Kasin Rueantong,&nbsp;Teerapat Itsoponpan,&nbsp;Wijitra Waengdongbung,&nbsp;Taweesak Sudyoadsuk,&nbsp;Vinich Promarak","doi":"10.1002/cnma.202400551","DOIUrl":"https://doi.org/10.1002/cnma.202400551","url":null,"abstract":"<p>Herein, we report the design, synthesis, and properties of two donor-π-acceptor (D-π-A) charge transfer fluorophores pursuing an efficient deep blue emitter for organic light-emitting diode (OLED). <b>TCyCN</b> and <b>TPhCN</b> comprise triphenylamine as a donor and benzonitrile as an acceptor connecting by either [2.2]paracyclophane (Cy) as a through-space π-linker or phenyl ring (Ph) as a through-bond π-linker, respectively. In thin film, <b>TCyCN</b> shows deep blue emission with moderate fluorescence efficiency, while <b>TPhCN</b> displays cyan blue emission with a high fluorescence efficiency. The two molecules feature hybridized local and charge-transfer states with good thermal stability and balanced charge transport properties. They are successfully employed as non-doped blue emissive layers in OLEDs. The <b>TCyCN</b>-based device emits deep blue light peaked at 425 nm (CIE coordinates of (0.157, 0.076)) with a moderate electroluminescent (EL) performance (EQE<sub>max</sub>=3.23 % and CE<sub>max</sub>=2.06 cd A<sup>−1</sup>), while the <b>TPhCN</b>-based device attains an excellent EL performance (EQE<sub>max</sub>=6.24 % and CE<sub>max</sub>=8.26 cd A<sup>−1</sup>) with cyan blue emission peaked at 490 nm. This work provides insight into the relationship between molecular design and properties of D-π-A emitters, offering a guideline for tailoring new organic compounds for organic optoelectronics.</p>","PeriodicalId":54339,"journal":{"name":"ChemNanoMat","volume":"11 1","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-11-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143115978","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Maximizing Oxygen Evolution Performance of NiFeOx Semitransparent Electrocatalysts Applicable to Photoelectrochemical Water Splitting Device
IF 2.6 4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-15 DOI: 10.1002/cnma.202400536
Koichi Yoshiyama, Tomohiro Higashi, Tian Xiao, Kenji Yoshino

In photoelectrochemical (PEC) water splitting, semiconductor-based photoelectrodes can improve reaction rates and durability by incorporating cocatalysts that serve as active sites for the water splitting process. However, achieving both high light transmittance and efficient catalytic activity is essential for these cocatalysts. This study aimed to optimize the surface loading of semitransparent NiFeOx thin-film electrocatalysts to enhance the oxygen evolution reaction (OER) rates while maintaining high light transmittance. NiFeOx thin films were deposited on fluorine-doped SnO2 (FTO) transparent conductive substrates, and the relationship between the NiFeOx loading amount (Γ) and the OER rate was examined using electrochemical techniques. The OER rate of NiFeOx on FTO (NiFeOx/FTO) was the highest at a Γ value of 0.20 μmol cm−2. To further explore the connection between this optimized Γ and PEC activity, the impact of Γ on the PEC OER performance of visible-light-absorbing α-Fe2O3 semitransparent photoanodes was evaluated as a model system. Applying the optimized Γ of NiFeOx to modify the α-Fe2O3 surface also led to enhanced PEC OER performance. These findings highlight the critical role of surface design, specifically the optimization of cocatalyst loading and electrocatalytic activity, in improving PEC water splitting efficiency, providing valuable guidelines for future semitransparent photoelectrode development.

{"title":"Maximizing Oxygen Evolution Performance of NiFeOx Semitransparent Electrocatalysts Applicable to Photoelectrochemical Water Splitting Device","authors":"Koichi Yoshiyama,&nbsp;Tomohiro Higashi,&nbsp;Tian Xiao,&nbsp;Kenji Yoshino","doi":"10.1002/cnma.202400536","DOIUrl":"https://doi.org/10.1002/cnma.202400536","url":null,"abstract":"<p>In photoelectrochemical (PEC) water splitting, semiconductor-based photoelectrodes can improve reaction rates and durability by incorporating cocatalysts that serve as active sites for the water splitting process. However, achieving both high light transmittance and efficient catalytic activity is essential for these cocatalysts. This study aimed to optimize the surface loading of semitransparent NiFeO<sub><i>x</i></sub> thin-film electrocatalysts to enhance the oxygen evolution reaction (OER) rates while maintaining high light transmittance. NiFeO<sub><i>x</i></sub> thin films were deposited on fluorine-doped SnO<sub>2</sub> (FTO) transparent conductive substrates, and the relationship between the NiFeO<sub><i>x</i></sub> loading amount (<i>Γ</i>) and the OER rate was examined using electrochemical techniques. The OER rate of NiFeO<sub><i>x</i></sub> on FTO (NiFeO<sub><i>x</i></sub>/FTO) was the highest at a <i>Γ</i> value of 0.20 μmol cm<sup>−2</sup>. To further explore the connection between this optimized <i>Γ</i> and PEC activity, the impact of <i>Γ</i> on the PEC OER performance of visible-light-absorbing <i>α</i>-Fe<sub>2</sub>O<sub>3</sub> semitransparent photoanodes was evaluated as a model system. Applying the optimized <i>Γ</i> of NiFeO<sub><i>x</i></sub> to modify the <i>α</i>-Fe<sub>2</sub>O<sub>3</sub> surface also led to enhanced PEC OER performance. These findings highlight the critical role of surface design, specifically the optimization of cocatalyst loading and electrocatalytic activity, in improving PEC water splitting efficiency, providing valuable guidelines for future semitransparent photoelectrode development.</p>","PeriodicalId":54339,"journal":{"name":"ChemNanoMat","volume":"11 1","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143115465","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Macrocyclic Chiral Two-Dimensional Membranes for Enantiomers Separation
IF 2.6 4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-15 DOI: 10.1002/cnma.202400444
Yuning Feng, Haoling Zhang, Chengyu Zhang, Yangyang Fan, Lei Yang, Prof. Dr. Jian-Xin Zhang, Prof. Dr. Yue Sun

Chiral enantiomers, while typically exhibiting similar physical and chemical properties, often have distinct therapeutic effects. The preparation of pure enantiomers is therefore of significant interest in the food, chemical, and pharmaceutical industries, making the separation of enantiomers highly sought after. Membrane separation technology has garnered widespread attention for its environmental friendliness and scalability. Recently, chiral two-dimensional (2D) membranes have demonstrated superior separation performance due to their ultrathin nature and orderly transmission channels. Macrocyclic chiral 2D membranes, in particular, combine the inherent cavity structure of macrocyclic molecules with the host-guest interaction capabilities that specifically recognize chiral molecules. Additionally, they benefit from the excellent chemical stability and adjustable interlayer spacing of 2D materials. This combination allows these membranes to achieve high enantioselectivity while improving flux. By optimizing the trade-off between flux and enantioselectivity, this strategy offers a promising new approach for developing advanced chiral membranes.

{"title":"Macrocyclic Chiral Two-Dimensional Membranes for Enantiomers Separation","authors":"Yuning Feng,&nbsp;Haoling Zhang,&nbsp;Chengyu Zhang,&nbsp;Yangyang Fan,&nbsp;Lei Yang,&nbsp;Prof. Dr. Jian-Xin Zhang,&nbsp;Prof. Dr. Yue Sun","doi":"10.1002/cnma.202400444","DOIUrl":"https://doi.org/10.1002/cnma.202400444","url":null,"abstract":"<p>Chiral enantiomers, while typically exhibiting similar physical and chemical properties, often have distinct therapeutic effects. The preparation of pure enantiomers is therefore of significant interest in the food, chemical, and pharmaceutical industries, making the separation of enantiomers highly sought after. Membrane separation technology has garnered widespread attention for its environmental friendliness and scalability. Recently, chiral two-dimensional (2D) membranes have demonstrated superior separation performance due to their ultrathin nature and orderly transmission channels. Macrocyclic chiral 2D membranes, in particular, combine the inherent cavity structure of macrocyclic molecules with the host-guest interaction capabilities that specifically recognize chiral molecules. Additionally, they benefit from the excellent chemical stability and adjustable interlayer spacing of 2D materials. This combination allows these membranes to achieve high enantioselectivity while improving flux. By optimizing the trade-off between flux and enantioselectivity, this strategy offers a promising new approach for developing advanced chiral membranes.</p>","PeriodicalId":54339,"journal":{"name":"ChemNanoMat","volume":"11 1","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143115466","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Curcuma Longa Derived Heteroatom-Self-Doped Porous Carbon for Cost-Effective Solid-State Supercapacitors
IF 2.6 4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-12 DOI: 10.1002/cnma.202400505
G. S. Sangeetha Gopan, Nelsa Abraham, S. Rani, Dona Kurian, K. M. Alana

The cost-effective synthesis of supercapacitors is a significant challenge in energy storage research. This study introduces a sustainable and cost-effective method for synthesizing biomass-derived carbon for solid-state supercapacitor fabrication. Turmeric (Curcuma longa) plant waste is carbonized at three distinct temperatures (500, 600, and 700 °C for 3 hours), and the resulting carbon is characterized to determine the optimal carbonization conditions. Physicochemical characterization revealed the presence of multiple heteroatoms, which may contribute to enhanced capacitance. Electrochemical studies showed that the carbonized material at 600 °C achieved the highest specific capacitance of 110.04 F/g at 0.1 A/g current density. After activation, the specific capacitance increased to 188 F/g at 0.1 A/g current density. A solid-state supercapacitor was assembled using the synthesized activated carbon and PVA/H2SO4 gel-type electrolyte. The resulting device exhibited an impressive specific capacitance of 92.33 F/g at 0.1 A/g, a power density of 4295.28 W/kg, and a cycling stability of 97.42 %. This supercapacitor shows promising potential as an economical and sustainable energy storage solution for portable electronics.

{"title":"Curcuma Longa Derived Heteroatom-Self-Doped Porous Carbon for Cost-Effective Solid-State Supercapacitors","authors":"G. S. Sangeetha Gopan,&nbsp;Nelsa Abraham,&nbsp;S. Rani,&nbsp;Dona Kurian,&nbsp;K. M. Alana","doi":"10.1002/cnma.202400505","DOIUrl":"https://doi.org/10.1002/cnma.202400505","url":null,"abstract":"<p>The cost-effective synthesis of supercapacitors is a significant challenge in energy storage research. This study introduces a sustainable and cost-effective method for synthesizing biomass-derived carbon for solid-state supercapacitor fabrication. Turmeric (Curcuma longa) plant waste is carbonized at three distinct temperatures (500, 600, and 700 °C for 3 hours), and the resulting carbon is characterized to determine the optimal carbonization conditions. Physicochemical characterization revealed the presence of multiple heteroatoms, which may contribute to enhanced capacitance. Electrochemical studies showed that the carbonized material at 600 °C achieved the highest specific capacitance of 110.04 F/g at 0.1 A/g current density. After activation, the specific capacitance increased to 188 F/g at 0.1 A/g current density. A solid-state supercapacitor was assembled using the synthesized activated carbon and PVA/H<sub>2</sub>SO<sub>4</sub> gel-type electrolyte. The resulting device exhibited an impressive specific capacitance of 92.33 F/g at 0.1 A/g, a power density of 4295.28 W/kg, and a cycling stability of 97.42 %. This supercapacitor shows promising potential as an economical and sustainable energy storage solution for portable electronics.</p>","PeriodicalId":54339,"journal":{"name":"ChemNanoMat","volume":"11 1","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143114423","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Front Cover: Single Source Precursor Path to 2D Materials: A Case Study of Solution-Processed Molybdenum-Rich MoSe2-x Ultrathin Nanosheets (ChemNanoMat 11/2024) 封面:通向二维材料的单源前驱体之路:溶液加工富钼 MoSe2-x 超薄纳米片的案例研究(ChemNanoMat 11/2024)
IF 2.6 4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-11 DOI: 10.1002/cnma.202481101
Shashank Mishra, Erwann Jeanneau, Sweta Gahlot, Nidal Raydan, Laurence Burel, Thibault Cornier, Anne Bonhomme, Pascal Bargiela

The cover image shows the first well-characterized single source precursor for the solution-phase synthesis of two-dimensional MoSe2 materials. This work illustrates the importance of thoughtful selection of appropriate metal reagents and ligand sets, careful control of the reaction conditions as well as deeper knowledge of their reactivity and decomposition mechanism for the scale-up production of high-quality nanomaterials under moderate processing conditions for advanced applications. More information can be found in the Research Article by Shashank Mishra and co-workers. Image created with BioRender.com.

封面图片显示了第一种用于溶液相合成二维 MoSe2 材料的表征良好的单源前驱体。这项工作表明,要在适度的加工条件下扩大高质量纳米材料的生产规模,就必须深思熟虑地选择适当的金属试剂和配体组,仔细控制反应条件,并深入了解其反应性和分解机理,以满足先进应用的需要。更多信息,请参阅 Shashank Mishra 及其合作者的研究文章。图片由 BioRender.com 制作。
{"title":"Front Cover: Single Source Precursor Path to 2D Materials: A Case Study of Solution-Processed Molybdenum-Rich MoSe2-x Ultrathin Nanosheets (ChemNanoMat 11/2024)","authors":"Shashank Mishra,&nbsp;Erwann Jeanneau,&nbsp;Sweta Gahlot,&nbsp;Nidal Raydan,&nbsp;Laurence Burel,&nbsp;Thibault Cornier,&nbsp;Anne Bonhomme,&nbsp;Pascal Bargiela","doi":"10.1002/cnma.202481101","DOIUrl":"https://doi.org/10.1002/cnma.202481101","url":null,"abstract":"<p>The cover image shows the first well-characterized single source precursor for the solution-phase synthesis of two-dimensional MoSe<sub>2</sub> materials. This work illustrates the importance of thoughtful selection of appropriate metal reagents and ligand sets, careful control of the reaction conditions as well as deeper knowledge of their reactivity and decomposition mechanism for the scale-up production of high-quality nanomaterials under moderate processing conditions for advanced applications. More information can be found in the Research Article by Shashank Mishra and co-workers. Image created with BioRender.com.\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure>\u0000 </p>","PeriodicalId":54339,"journal":{"name":"ChemNanoMat","volume":"10 11","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cnma.202481101","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142664910","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Comprehensive Study on Amino-Modified Salix Wood Powder Membranes: Preparation, Adsorption Mechanism and Desorption Conditions for Efficient Chlortetracycline Removal
IF 2.6 4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-10 DOI: 10.1002/cnma.202400515
Xiaokai Liu, Xuan Zhao, Hao He, Jiyuan Zhang, Yuanfang Zhang, Li Wang

The wastewater of Chlortetracycline (CTC) poses a threat to the balance of aquatic ecosystems, promoting the formation and dissemination of antibiotic-resistant bacterial strains in the aquatic environment. Moreover, such pollution can directly or indirectly affect human health through water sources, exacerbating the issue of antibiotic resistance. In response to this pollution challenge, Amino-modified salix wood powder membrane(ASPPM) was prepared by phase transition and wet spinning techniques, aimed at removing CTC from water bodies. Adsorption experiment results show that the ASPPM maximum adsorption capacity for CTC is 459 mg/g. In the desorption process, the highest desorption rate of ASPPM for CTC was 79.65 %. By fitting pseudo-first-order and pseudo-second-order kinetic models, it is found that the adsorption process of ASPPM on CTC is predominantly chemical adsorption. By fitting three isotherm models, it is found that the adsorption behavior of ASPPM on CTC is more in accordance with the Freundlich isotherm model, indicating multilayer adsorption on heterogeneous surfaces. Thermodynamic analysis indicates that the adsorption process of ASPPM on CTC is spontaneous, exothermic and accompanied by an increase in entropy at different temperatures. Furthermore, ASPPM has a highly porous structure. During its preparation, the characteristic absorption peaks of −CONH and −NH2 in ASPP are preserved and the cellulose type I in ASPPM is transformed into type II, resulting in a more orderly crystal structure. The preparation of ASPPM study not only transforms renewable biomass materials into effective tools for environmental purification but also offers a cost-effective new approach for sustainable environmental management, expanding the application of biomass materials in the field of environmental protection.

{"title":"Comprehensive Study on Amino-Modified Salix Wood Powder Membranes: Preparation, Adsorption Mechanism and Desorption Conditions for Efficient Chlortetracycline Removal","authors":"Xiaokai Liu,&nbsp;Xuan Zhao,&nbsp;Hao He,&nbsp;Jiyuan Zhang,&nbsp;Yuanfang Zhang,&nbsp;Li Wang","doi":"10.1002/cnma.202400515","DOIUrl":"https://doi.org/10.1002/cnma.202400515","url":null,"abstract":"<p>The wastewater of Chlortetracycline (CTC) poses a threat to the balance of aquatic ecosystems, promoting the formation and dissemination of antibiotic-resistant bacterial strains in the aquatic environment. Moreover, such pollution can directly or indirectly affect human health through water sources, exacerbating the issue of antibiotic resistance. In response to this pollution challenge, Amino-modified salix wood powder membrane(ASPPM) was prepared by phase transition and wet spinning techniques, aimed at removing CTC from water bodies. Adsorption experiment results show that the ASPPM maximum adsorption capacity for CTC is 459 mg/g. In the desorption process, the highest desorption rate of ASPPM for CTC was 79.65 %. By fitting pseudo-first-order and pseudo-second-order kinetic models, it is found that the adsorption process of ASPPM on CTC is predominantly chemical adsorption. By fitting three isotherm models, it is found that the adsorption behavior of ASPPM on CTC is more in accordance with the Freundlich isotherm model, indicating multilayer adsorption on heterogeneous surfaces. Thermodynamic analysis indicates that the adsorption process of ASPPM on CTC is spontaneous, exothermic and accompanied by an increase in entropy at different temperatures. Furthermore, ASPPM has a highly porous structure. During its preparation, the characteristic absorption peaks of −CONH and −NH<sub>2</sub> in ASPP are preserved and the cellulose type I in ASPPM is transformed into type II, resulting in a more orderly crystal structure. The preparation of ASPPM study not only transforms renewable biomass materials into effective tools for environmental purification but also offers a cost-effective new approach for sustainable environmental management, expanding the application of biomass materials in the field of environmental protection.</p>","PeriodicalId":54339,"journal":{"name":"ChemNanoMat","volume":"11 1","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143114040","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Design and DFT Study of New Nano Buds from the Combination of C60 Fullerene and Nanobowl
IF 2.6 4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-08 DOI: 10.1002/cnma.202400424
Hamid Reza Shamlouei, Elham Gravand Tabar

In this research, new nano buds of C60 fullerene compound and nanobowls were designed and their structure, electrical properties and optical properties were calculated. The absence of imaginary frequency and high cohesive energies is proof of stability and confirmation of the possibility of their formation. Calculation of the relative population showed that the E configuration is the dominant population. The calculation of electrical properties showed that combining the structures with each other improves the electrical properties of nanobuds. The highest electric charge transfer from nanobowl to C60 was observed in the configuration of C nanobuds. A high improvement in NLO properties was observed in all nanobud configurations. Calculating the contribution of the dispersion term in the energy of the nanobuds showed that compared to the parents, larger dispersion energy was obtained for the designed nanobuds (especially configuration E). It was shown that the energy of nano buds and their parents decreases in the presence of solvents. The decrease in energy as a function of increasing the dielectric constant of the solvents may be due to the increase in the dipole moments of the nanobud as a result of the electron transfer from the nanobowl to the C60 fullerene.

{"title":"Design and DFT Study of New Nano Buds from the Combination of C60 Fullerene and Nanobowl","authors":"Hamid Reza Shamlouei,&nbsp;Elham Gravand Tabar","doi":"10.1002/cnma.202400424","DOIUrl":"https://doi.org/10.1002/cnma.202400424","url":null,"abstract":"<p>In this research, new nano buds of C60 fullerene compound and nanobowls were designed and their structure, electrical properties and optical properties were calculated. The absence of imaginary frequency and high cohesive energies is proof of stability and confirmation of the possibility of their formation. Calculation of the relative population showed that the E configuration is the dominant population. The calculation of electrical properties showed that combining the structures with each other improves the electrical properties of nanobuds. The highest electric charge transfer from nanobowl to C60 was observed in the configuration of C nanobuds. A high improvement in NLO properties was observed in all nanobud configurations. Calculating the contribution of the dispersion term in the energy of the nanobuds showed that compared to the parents, larger dispersion energy was obtained for the designed nanobuds (especially configuration E). It was shown that the energy of nano buds and their parents decreases in the presence of solvents. The decrease in energy as a function of increasing the dielectric constant of the solvents may be due to the increase in the dipole moments of the nanobud as a result of the electron transfer from the nanobowl to the C60 fullerene.</p>","PeriodicalId":54339,"journal":{"name":"ChemNanoMat","volume":"11 1","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143113567","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Carbon Dots Boost the Electrocatalytic Ammonia Oxidation Reaction on Pt2Pd Nanosheet
IF 2.6 4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-03 DOI: 10.1002/cnma.202400495
Jinzeng Guo, Penghao Li, Jinxin Chen, Wenxiang Zhu, Mengjie Ma, Dongdong Gao, Pengcheng Qiu, Prof. Qi Shao, Dr. Fan Liao, Prof. Mingwang Shao

The development of efficient catalysts for high-performance ammonia oxidation reaction (AOR) is crucial for direct ammonia fuel cells. However, AOR is severely affected by slow kinetics and the toxicity of reaction intermediates, which reduce the durability of precious metal catalysts. Here, a two-dimensional carbon dots modified Pt2Pd nanoporous alloy (Pt2Pd-CDs) is synthesized through the borane morpholine reduction of a platinum palladium oxide nanosheet. The Pt2Pd_3 % CDs (the mass of CDs is 3 % of Pt2Pd) exhibits high AOR activity and stability in alkaline media, with an onset potential of 0.41 V vs. RHE, which is 170 mV lower than that of the commercial Pt/C (0.58 V vs. RHE). In addition, after 2000 cycles of accelerated durability testing, the peak mass activity (115.3 A gPGM−1) decreases by only 25.8 %. This enhancement is mainly attributed to the unique advantage of two-dimensional nanoporous structure with a high electrochemical surface area, and the strong ammonia adsorption and the electron deliver capacity of CDs.

{"title":"Carbon Dots Boost the Electrocatalytic Ammonia Oxidation Reaction on Pt2Pd Nanosheet","authors":"Jinzeng Guo,&nbsp;Penghao Li,&nbsp;Jinxin Chen,&nbsp;Wenxiang Zhu,&nbsp;Mengjie Ma,&nbsp;Dongdong Gao,&nbsp;Pengcheng Qiu,&nbsp;Prof. Qi Shao,&nbsp;Dr. Fan Liao,&nbsp;Prof. Mingwang Shao","doi":"10.1002/cnma.202400495","DOIUrl":"https://doi.org/10.1002/cnma.202400495","url":null,"abstract":"<p>The development of efficient catalysts for high-performance ammonia oxidation reaction (AOR) is crucial for direct ammonia fuel cells. However, AOR is severely affected by slow kinetics and the toxicity of reaction intermediates, which reduce the durability of precious metal catalysts. Here, a two-dimensional carbon dots modified Pt<sub>2</sub>Pd nanoporous alloy (Pt<sub>2</sub>Pd-CDs) is synthesized through the borane morpholine reduction of a platinum palladium oxide nanosheet. The Pt<sub>2</sub>Pd_3 % CDs (the mass of CDs is 3 % of Pt<sub>2</sub>Pd) exhibits high AOR activity and stability in alkaline media, with an onset potential of 0.41 V vs. RHE, which is 170 mV lower than that of the commercial Pt/C (0.58 V vs. RHE). In addition, after 2000 cycles of accelerated durability testing, the peak mass activity (115.3 A g<sub>PGM</sub><sup>−1</sup>) decreases by only 25.8 %. This enhancement is mainly attributed to the unique advantage of two-dimensional nanoporous structure with a high electrochemical surface area, and the strong ammonia adsorption and the electron deliver capacity of CDs.</p>","PeriodicalId":54339,"journal":{"name":"ChemNanoMat","volume":"11 1","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143111746","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Optimizing Synthesis of Anionic Surfactant-Modified Carbon Black for Enhanced Ammonium Adsorption
IF 2.6 4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-29 DOI: 10.1002/cnma.202400539
Dr. Nurul Balqis Mohamed, Assc. Prof. Ir. Dr. Norzita Ngadi, Dr. Ahmad Ilyas Rushdan, Dr. Noor Yahida Yahya, Ts. Dr. Mohamed Hizam Mohamed Noor, Prof. Dr. Ibrahim Mohammed Inuwa, Dr. Lawal Anako Opotu, Ass. Prof. Dr. Aznizam Abu Bakar, Ir. Ts. Ya Mohammad Nazir Shah Ismail, Noorhalieza Ali

The increasing levels of ammonium in wastewater pose serious environmental issues, highlighting the urgent need for effective adsorbents to facilitate its removal. Although conventional biological treatment methods have certain drawbacks, adsorption using carbonaceous materials, such as carbon black produced from waste tires, presents a promising alternative for ammonium removal. However, the use of these materials has not been thoroughly investigated. This study focuses on optimizing the synthesis of carbon black modified with anionic surfactants to improve its capacity for ammonium adsorption. Utilizing Response Surface Methodology (RSM) and a Box-Behnken design, the optimization process examined key variables, including reaction time, surfactant concentration, carbon black dosage, and surfactant type. Comprehensive characterization of the adsorbent was conducted to analyze its surface properties, functional groups, morphology, and elemental composition. The regression models produced highly accurate results with an R2 value of 0.9437. The optimal synthesis conditions were identified as a 12.30-hour reaction time, a surfactant concentration of 8 mmol/L of sodium dodecylbenzene sulfonate, and a carbon black dosage of 30 g, achieving an ammonium removal efficiency of 84.80 %. This study offers a scalable solution for ammonium removal in wastewater, promising practical applications and future sustainable waste management research.

{"title":"Optimizing Synthesis of Anionic Surfactant-Modified Carbon Black for Enhanced Ammonium Adsorption","authors":"Dr. Nurul Balqis Mohamed,&nbsp;Assc. Prof. Ir. Dr. Norzita Ngadi,&nbsp;Dr. Ahmad Ilyas Rushdan,&nbsp;Dr. Noor Yahida Yahya,&nbsp;Ts. Dr. Mohamed Hizam Mohamed Noor,&nbsp;Prof. Dr. Ibrahim Mohammed Inuwa,&nbsp;Dr. Lawal Anako Opotu,&nbsp;Ass. Prof. Dr. Aznizam Abu Bakar,&nbsp;Ir. Ts. Ya Mohammad Nazir Shah Ismail,&nbsp;Noorhalieza Ali","doi":"10.1002/cnma.202400539","DOIUrl":"https://doi.org/10.1002/cnma.202400539","url":null,"abstract":"<p>The increasing levels of ammonium in wastewater pose serious environmental issues, highlighting the urgent need for effective adsorbents to facilitate its removal. Although conventional biological treatment methods have certain drawbacks, adsorption using carbonaceous materials, such as carbon black produced from waste tires, presents a promising alternative for ammonium removal. However, the use of these materials has not been thoroughly investigated. This study focuses on optimizing the synthesis of carbon black modified with anionic surfactants to improve its capacity for ammonium adsorption. Utilizing Response Surface Methodology (RSM) and a Box-Behnken design, the optimization process examined key variables, including reaction time, surfactant concentration, carbon black dosage, and surfactant type. Comprehensive characterization of the adsorbent was conducted to analyze its surface properties, functional groups, morphology, and elemental composition. The regression models produced highly accurate results with an R<sup>2</sup> value of 0.9437. The optimal synthesis conditions were identified as a 12.30-hour reaction time, a surfactant concentration of 8 mmol/L of sodium dodecylbenzene sulfonate, and a carbon black dosage of 30 g, achieving an ammonium removal efficiency of 84.80 %. This study offers a scalable solution for ammonium removal in wastewater, promising practical applications and future sustainable waste management research.</p>","PeriodicalId":54339,"journal":{"name":"ChemNanoMat","volume":"11 1","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143121075","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
Facile Fabrication of LaFeO3 Supported Pd Nanoparticles as Highly Effective Heterogeneous Catalyst for Suzuki–Miyaura Coupling Reaction 简便制备 LaFeO3 Supported Pd 纳米粒子,作为铃木-宫浦偶联反应的高效异构催化剂
IF 2.6 4区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-27 DOI: 10.1002/cnma.202400450
Ying Sun, Juanjuan Yin, Ying Wang, Ping Zhang, Lingjuan Ma, Jisen Li

Supported Pd catalysts have been widely studied due to their enormous potential as candidates for heterogeneous Suzuki–Miyaura coupling reactions. However, the sintering and low activity of active sites still remain challenges. A vesicle-shaped LaFeO3-supported Pd catalyst (I−Pd/LaFeO3) was successfully fabricated using the impregnation method and tested for the Suzuki–Miyaura coupling reaction. Compared to P−Pd/LaFeO3 prepared with photo-deposition and Pd/Al2O3 prepared with impregnation, the I−Pd/LaFeO3 catalyst exhibits significantly higher catalytic activity, stability, and reusability. The chemical composition and electron states of different Pd-based catalysts were well studied based on various characterizations and the results indicated that the excellent performance of I−Pd/LaFeO3 can be attributed to its unique nanostructure and the strong interactions between LaFeO3 and palladium nanoparticles. The impregnation method and the choice of the LaFeO3 support show a great influence on the electronic properties of Pd species, their reducibility, and, consequently, their reaction behavior. This unique LaFeO3 supported Pd catalyst provided an environmentally friendly heterogeneous method for the Suzuki–Miyaura coupling reaction.

负载型钯催化剂作为非均相Suzuki-Miyaura偶联反应的候选物具有巨大的潜力,因此得到了广泛的研究。然而,烧结和活性位点的低活性仍然是一个挑战。采用浸渍法制备了一种囊状的LaFeO3负载型钯催化剂(I−Pd/LaFeO3),并对其进行了Suzuki-Miyaura偶联反应测试。与光沉积法制备的P−Pd/LaFeO3和浸渍法制备的Pd/Al2O3相比,I−Pd/LaFeO3催化剂具有更高的催化活性、稳定性和可重复使用性。研究了不同钯基催化剂的化学组成和电子态,结果表明,I−Pd/LaFeO3的优异性能归因于其独特的纳米结构和LaFeO3与钯纳米粒子之间的强相互作用。浸渍方法和LaFeO3载体的选择对钯的电子性质、还原性以及反应行为有很大影响。这种独特的LaFeO3负载Pd催化剂为Suzuki-Miyaura偶联反应提供了一种环境友好的多相方法。
{"title":"Facile Fabrication of LaFeO3 Supported Pd Nanoparticles as Highly Effective Heterogeneous Catalyst for Suzuki–Miyaura Coupling Reaction","authors":"Ying Sun,&nbsp;Juanjuan Yin,&nbsp;Ying Wang,&nbsp;Ping Zhang,&nbsp;Lingjuan Ma,&nbsp;Jisen Li","doi":"10.1002/cnma.202400450","DOIUrl":"https://doi.org/10.1002/cnma.202400450","url":null,"abstract":"<p>Supported Pd catalysts have been widely studied due to their enormous potential as candidates for heterogeneous Suzuki–Miyaura coupling reactions. However, the sintering and low activity of active sites still remain challenges. A vesicle-shaped LaFeO<sub>3</sub>-supported Pd catalyst (I−Pd/LaFeO<sub>3</sub>) was successfully fabricated using the impregnation method and tested for the Suzuki–Miyaura coupling reaction. Compared to P−Pd/LaFeO<sub>3</sub> prepared with photo-deposition and Pd/Al<sub>2</sub>O<sub>3</sub> prepared with impregnation, the I−Pd/LaFeO<sub>3</sub> catalyst exhibits significantly higher catalytic activity, stability, and reusability. The chemical composition and electron states of different Pd-based catalysts were well studied based on various characterizations and the results indicated that the excellent performance of I−Pd/LaFeO<sub>3</sub> can be attributed to its unique nanostructure and the strong interactions between LaFeO<sub>3</sub> and palladium nanoparticles. The impregnation method and the choice of the LaFeO<sub>3</sub> support show a great influence on the electronic properties of Pd species, their reducibility, and, consequently, their reaction behavior. This unique LaFeO<sub>3</sub> supported Pd catalyst provided an environmentally friendly heterogeneous method for the Suzuki–Miyaura coupling reaction.</p>","PeriodicalId":54339,"journal":{"name":"ChemNanoMat","volume":"10 12","pages":""},"PeriodicalIF":2.6,"publicationDate":"2024-10-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142862160","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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
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