New Journal of Chemistry最新文献

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Direct and selective extraction of precious metal molybdenum from solid matrices using supercritical carbon dioxide 超临界二氧化碳直接和选择性地从固体基质中萃取贵金属钼
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2025-01-02 DOI: 10.1039/D4NJ05173D
Ankita Rao, Avinash S. Kanekar, Arijit Sengupta and Ruma Gupta
{"title":"Direct and selective extraction of precious metal molybdenum from solid matrices using supercritical carbon dioxide","authors":"Ankita Rao, Avinash S. Kanekar, Arijit Sengupta and Ruma Gupta","doi":"10.1039/D4NJ05173D","DOIUrl":"https://doi.org/10.1039/D4NJ05173D","url":null,"abstract":"<p >Sustainable separation and purification strategies for transition metal molybdenum, enlisted as a critical mineral owing to its vast industrial applications and limited natural resources, from secondary resources are of paramount importance. Directed towards this aim, this is the first report of direct, mineral acid-free Mo recovery from solid matrices by supercritical carbon dioxide extraction using alpha benzoin oxime (ABO) and pentadecafluoro-<em>n</em>-octanoic acid (HPFOA) as complexing agents. Efficient (&gt;90%) Mo recovery was achieved under optimised conditions (323 K, 200 atm, <em>in situ</em> complexation mode) by eliminating any high-temperature treatment and harsh acid/base leaching steps. Additionally, high removal efficiencies were obtained for other metal ions, namely, U (&gt;91%) from the U–Mo blend matrix relevant to fission moly applications and V (∼100%), Al (&gt;88%), and Ni (&gt;91%) from the simulated spent catalyst matrix. Further insight into the Mo-complex in the SC CO<small><sub>2</sub></small> extract was obtained by UV-vis spectrophotometry, FTIR and electrometric investigations. Mo oxalate precipitation from a compact SC CO<small><sub>2</sub></small> extract was also demonstrated. This study, therefore, addresses the challenge of developing a simple, efficient and selective method for the recovery of Mo from various solid matrices.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 4","pages":" 1400-1409"},"PeriodicalIF":2.7,"publicationDate":"2025-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994165","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Wedding cake growth and ultraviolet performance of β-GeSe2 nanosheets† 婚礼蛋糕生长及β-GeSe2纳米片†的紫外性能
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2025-01-02 DOI: 10.1039/D4NJ04496G
Zhaxi Suonan, Hanxiang Wu, Hua Xu, Meijie Zhu, Lin Li, Shanshan Chen, Zhihai Cheng and Fei Pang
{"title":"Wedding cake growth and ultraviolet performance of β-GeSe2 nanosheets†","authors":"Zhaxi Suonan, Hanxiang Wu, Hua Xu, Meijie Zhu, Lin Li, Shanshan Chen, Zhihai Cheng and Fei Pang","doi":"10.1039/D4NJ04496G","DOIUrl":"https://doi.org/10.1039/D4NJ04496G","url":null,"abstract":"<p >As an important layered material, two-dimensional (2D) GeSe<small><sub>2</sub></small> has recently attracted interest owing to its direct wide bandgap and potential applications in ultraviolet (UV) detection. Herein, we utilized GeTe as a Ge precursor for the growth of β-GeSe<small><sub>2</sub></small> nanosheets on mica <em>via</em> chemical vapor deposition. By optimizing the growth time and temperature, high-quality β-GeSe<small><sub>2</sub></small> nanosheets with various vertical stacking configurations were achieved. Detailed investigation shows the formation of wedding-cake-like β-GeSe<small><sub>2</sub></small> with terraced structures originating from the high supersaturation of precursors. With increasing temperature and growth time, supersaturation was enhanced and β-GeSe<small><sub>2</sub></small> nanosheets formed a wedding cake structure. Moreover, the thickness of β-GeSe<small><sub>2</sub></small> nanosheets with flat surfaces is down to 9.2 nm. The intensity of Raman vibration peaks varies across positions with different thicknesses on the β-GeSe<small><sub>2</sub></small> nanosheet. With decreasing thickness of the terraced structure of GeSe<small><sub>2</sub></small> nanosheets, the A<small><sub>g</sub></small> Raman vibration peak becomes weaker because of the reduction in the number of scattering centers. Furthermore, angle-resolved polarization Raman spectroscopy was conducted at room temperature. Additionally, the optical properties of β-GeSe<small><sub>2</sub></small> nanosheets demonstrated that the β-GeSe<small><sub>2</sub></small> nanosheets with a pyramid stacked structure exhibited a direct broadband gap of 2.72 eV. The results indicate that the β-GeSe<small><sub>2</sub></small> nanosheets are potential material for ultraviolet photodetection and polarized optoelectronic devices.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 4","pages":" 1410-1418"},"PeriodicalIF":2.7,"publicationDate":"2025-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994166","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Modulation of the CuxO structure and morphology for acceleration of peroxymonosulfate oxidation†
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2025-01-02 DOI: 10.1039/D4NJ05001K
Yunhui Tian, Shilin Li and Guangxin Zhang
{"title":"Modulation of the CuxO structure and morphology for acceleration of peroxymonosulfate oxidation†","authors":"Yunhui Tian, Shilin Li and Guangxin Zhang","doi":"10.1039/D4NJ05001K","DOIUrl":"https://doi.org/10.1039/D4NJ05001K","url":null,"abstract":"<p >Peroxymonosulfate (PMS) activation technology represents a novel advancement within advanced oxidation processes (AOPs), garnering significant attention in recent years for its efficacy in treating recalcitrant organic pollutants. This study focused on the synthesis of Cu<small><sub><em>x</em></sub></small>O catalysts <em>via</em> a one-pot solvothermal method. The investigation mainly evaluated the influence of solvents on the microstructure and morphology of the Cu<small><sub><em>x</em></sub></small>O catalyst. Microstructural analysis revealed that ethanol as a solvent could effectively modulate the surface microstructure, enhancing pore formation and increasing specific surface area, thereby optimizing the catalytic performances of Cu<small><sub><em>x</em></sub></small>O catalysts. Compared with other parameters such as initial pH and solvothermal temperature, the solvent was the key factor in the solvothermal process. The influences of catalyst dosage and PMS concentration on the catalyst's performance were explored and discussed. In addition, the pH and temperature of the solution and coexisting anions were investigated as environmental factors. Radical burst experiments confirmed the presence of sulfate radicals (SO<small><sub>4</sub></small>˙<small><sup>−</sup></small>) and hydroxyl radicals (˙OH) within the reaction system, with SO<small><sub>4</sub></small>˙<small><sup>−</sup></small> identified as the predominant species driving the degradation process. Furthermore, repeatability testing demonstrated the catalyst's stability. This research not only strengthened understanding of the PMS activation mechanism by Cu<small><sub><em>x</em></sub></small>O but also proposed novel avenues for future catalyst design and optimization.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 5","pages":" 1918-1926"},"PeriodicalIF":2.7,"publicationDate":"2025-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143107575","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Enhancing electroreduction of NO3− to NH3 over Co3O4 nanowires via N-doping† 通过n掺杂增强Co3O4纳米线上NO3−电还原为NH3
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2025-01-01 DOI: 10.1039/D4NJ04790G
Xiaoxi Guo, Pai Wang, Youhao Xu, Li Liu, Hengfeng Li and Tongwei Wu
{"title":"Enhancing electroreduction of NO3− to NH3 over Co3O4 nanowires via N-doping†","authors":"Xiaoxi Guo, Pai Wang, Youhao Xu, Li Liu, Hengfeng Li and Tongwei Wu","doi":"10.1039/D4NJ04790G","DOIUrl":"https://doi.org/10.1039/D4NJ04790G","url":null,"abstract":"<p >Electroreduction of nitrate (NO<small><sub>3</sub></small><small><sup>−</sup></small>) has emerged as a promising strategy for producing ammonia (NH<small><sub>3</sub></small>) at room temperature in recent years. However, the formation of the less electron-consuming H<small><sub>2</sub></small> byproduct seriously limits the conversion efficiency of NO<small><sub>3</sub></small><small><sup>−</sup></small> to NH<small><sub>3</sub></small>. In this study, we identify that N-doped Co<small><sub>3</sub></small>O<small><sub>4</sub></small> can effectively convert NO<small><sub>3</sub></small><small><sup>−</sup></small> to NH<small><sub>3</sub></small> with a high performance (NH<small><sub>3</sub></small> yield rate: 7.18 ± 0.59 mg h<small><sup>−1</sup></small> cm<small><sup>−2</sup></small>, faradaic efficiency: 96.7 ± 0.88%), which is significantly higher than that of pure Co<small><sub>3</sub></small>O<small><sub>4</sub></small> (NH<small><sub>3</sub></small> yield rate: 4.95 ± 0.54 mg h<small><sup>−1</sup></small> cm<small><sup>−2</sup></small>) and most reported Co-based catalysts (Table S1, ESI). Density functional theory (DFT) calculations coupled with X-ray absorption near-edge structure (XANES) experiments reveal that N-doping in Co<small><sub>3</sub></small>O<small><sub>4</sub></small> releases more positive charge on the Co atom site due to charge compensation. This oxidized Co atom site enhances the adsorption of NO<small><sub>3</sub></small><small><sup>−</sup></small> while weakening the adsorption of H<small><sup>+</sup></small> through Coulombic interactions, thus improving NO<small><sub>3</sub></small>RR activity. Overall, our study provides an efficient electrocatalyst to avoid the formation of the H<small><sub>2</sub></small> byproduct to facilitate the conversion of NO<small><sub>3</sub></small><small><sup>−</sup></small> to NH<small><sub>3</sub></small>, and opens new avenues towards achieving green ammonia production by controlling Coulombic interactions.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 4","pages":" 1128-1132"},"PeriodicalIF":2.7,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994201","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
A turn-on benzothiazole-based fluorescent probe for rapid cysteine detection in living cells†
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2024-12-31 DOI: 10.1039/D4NJ04650A
Kaimin Wang, Jianning Dong, Leilei Sun, Yayi Tu, Shouzhi Pu and Congbin Fan
{"title":"A turn-on benzothiazole-based fluorescent probe for rapid cysteine detection in living cells†","authors":"Kaimin Wang, Jianning Dong, Leilei Sun, Yayi Tu, Shouzhi Pu and Congbin Fan","doi":"10.1039/D4NJ04650A","DOIUrl":"https://doi.org/10.1039/D4NJ04650A","url":null,"abstract":"<p >Cysteine (Cys) is closely associated with many physiological and pathological processes in organisms and cells. The establishment of a molecular tool for the rapid and simple selective recognition of Cys would be of great benefit in the diagnosis and prevention of related diseases. In this paper, we developed a turn-on fluorescent probe BMBA, 3-(benzo[<em>d</em>]thiazol-2-yl)-4′-morpholino-[1,1′-biphenyl]-4-yl acrylate, designed with an acryloyl ester group to initiate the reaction and a benzothiazole moiety serving as the fluorescent component. Compared with other biological thiols, the probe BMBA possessed exceptional sensitivity and specificity for detecting Cys, boasting a low detection limit at 28.6 nM and a response duration of merely 5 min. The single-crystal data for the probe BMBA and compound <strong>2</strong> were successfully obtained and the recognition mechanism of Cys was investigated by FTIR spectroscopy and <small><sup>1</sup></small>H NMR. Most importantly, we effectively utilized BMBA for the detection of Cys in calf serum and living cells.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 5","pages":" 1718-1724"},"PeriodicalIF":2.7,"publicationDate":"2024-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143107656","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Shell structure, magnetic and magnetodynamic properties of oxidized iron nanoparticles with partial gold coating†
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2024-12-30 DOI: 10.1039/D4NJ05015K
Sergey Lyaschenko, Ivan Tarasov, Tatyana Andryushchenko, Ivan Yakovlev, Dmitry Velikanov, Mikhail Volochaev, Ivan Nemtsev, Ruslan Kriukov, Olga Maximova, Dmitry Shevtsov, Sergey Varnakov and Sergei Ovchinnikov
{"title":"Shell structure, magnetic and magnetodynamic properties of oxidized iron nanoparticles with partial gold coating†","authors":"Sergey Lyaschenko, Ivan Tarasov, Tatyana Andryushchenko, Ivan Yakovlev, Dmitry Velikanov, Mikhail Volochaev, Ivan Nemtsev, Ruslan Kriukov, Olga Maximova, Dmitry Shevtsov, Sergey Varnakov and Sergei Ovchinnikov","doi":"10.1039/D4NJ05015K","DOIUrl":"https://doi.org/10.1039/D4NJ05015K","url":null,"abstract":"<p >Magnetic nanoparticles, consisting of a metallic iron core with a shell of gold and iron oxides, were synthesized by ultra-high vacuum surface nucleation on a water-soluble NaCl substrate followed by oxidation in water. Using the methods of electron microscopy, electron diffraction, photoelectron spectroscopy and calculation of the specific density of iron in the oxidized shell, the oxides γ-Fe<small><sub>2</sub></small>O<small><sub>3</sub></small>, Fe<small><sub>3</sub></small>O<small><sub>4</sub></small> and oxyhydroxide α-FeO(OH) were discovered. A non-uniform distribution of the Fe<small><sup>3+</sup></small>/Fe<small><sup>2+</sup></small> ion ratio over the particle depth and a predominance of α-FeO(OH) in the contrast shell of nanoparticles, directly observed in transmission electron microscopy, were discovered. Comparison of the magnetic properties of partially gold-coated particles with similar Fe particles without gold showed a larger residual volume of unoxidized metal core with partial gold coating. This points to the anisotropy of the surface chemical properties associated with the Janus-like structure. For the first time, the magnetodynamic properties of partially gold-coated Fe nanoparticles were assessed by ellipsometric measurements of the surface of a colloidal solution in a gradient magnetic field.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 5","pages":" 1619-1630"},"PeriodicalIF":2.7,"publicationDate":"2024-12-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143107641","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Development of chiral modular bifunctional C2-symmetric bipyridine/phenanthroline-bipyrroloimidazolone ligands and application in noncovalent interaction-assisted enantioselective catalysis† 手性模块化双功能c2对称联吡啶/邻菲罗啉-联吡罗咪唑酮配体的发展及其在非共价相互作用辅助对映选择性催化中的应用
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2024-12-30 DOI: 10.1039/D4NJ05018E
Xi-Rui Wang, Pan Hu, Hui-Xian Jing, Zhang-Biao Yu, Zhen Yao, Xiong-Wei Liu, Wen-Jing Zhang, Li-Jun Peng and Xiong-Li Liu
{"title":"Development of chiral modular bifunctional C2-symmetric bipyridine/phenanthroline-bipyrroloimidazolone ligands and application in noncovalent interaction-assisted enantioselective catalysis†","authors":"Xi-Rui Wang, Pan Hu, Hui-Xian Jing, Zhang-Biao Yu, Zhen Yao, Xiong-Wei Liu, Wen-Jing Zhang, Li-Jun Peng and Xiong-Li Liu","doi":"10.1039/D4NJ05018E","DOIUrl":"https://doi.org/10.1039/D4NJ05018E","url":null,"abstract":"<p >Chiral bipyridine/phenanthroline ligands have been applied as a class of unique ligands due to their rich coordination chemistry in catalysis. Herein, we synthesize 13 new <em>C</em><small><sub>2</sub></small>-symmetric chiral phenanthroline-bipyrroloimidazolone ligands (Phen-BPI) and 5 new <em>C</em><small><sub>2</sub></small>-symmetric chiral bipyridine-bipyrroloimidazolone ligands (BPy-BPI). These Bpy/Phen-BPI pincer ligands performed successfully in nickel-catalyzed asymmetric Friedel–Crafts alkylation of indoles with 2-enoylpyridine-1-oxides, affording the chiral products with up to 93% yield and 99% ee. The control experiment and metal complex <strong>L1</strong>–Ni crystal supported the dual activation manner, in which the tridentate Bpy/Phen-BPI ligand contained two nitrogen atoms of the pyridine unit and one tertiary amine group of the pyrroloimidazolone moiety coordinating with Ni(<small>II</small>) to activate the 2-enoylpyridine-1-oxides, and the tertiary amine group of the additional pyrroloimidazolone moiety as the H-bond acceptor activated the indoles through a NH-bonding interaction, resulting in the asymmetric transformation. This represented the first example showing that the Bpy/Phen ligand contained three nitrogen atoms coordinating with the metal, and the additional nitrogen atom acted as the H-bond acceptor.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 4","pages":" 1138-1144"},"PeriodicalIF":2.7,"publicationDate":"2024-12-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142994203","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Construction of a BiOI/g-C3N4 heterojunction photocatalyst: visible light-mediated efficient and selective oxidation of 5-hydroxymethylfurfural†
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2024-12-30 DOI: 10.1039/D4NJ04937C
Xuehan Zhang, Wenzhuang Wang, Wenling Xu, Qinghua Chuai, Yongming Bao and Feng Guo
{"title":"Construction of a BiOI/g-C3N4 heterojunction photocatalyst: visible light-mediated efficient and selective oxidation of 5-hydroxymethylfurfural†","authors":"Xuehan Zhang, Wenzhuang Wang, Wenling Xu, Qinghua Chuai, Yongming Bao and Feng Guo","doi":"10.1039/D4NJ04937C","DOIUrl":"https://doi.org/10.1039/D4NJ04937C","url":null,"abstract":"<p >The escalating demand for sustainable energy has intensified the search for photocatalysts capable of harnessing solar energy for chemical conversions, with a particular focus on non-noble metal catalysts. This study presents the synthesis of a novel BiOI/g-C<small><sub>3</sub></small>N<small><sub>4</sub></small> heterojunction photocatalyst <em>via</em> an ultrasound-assisted co-precipitation method, demonstrating its efficiency in the visible light-mediated oxidation of 5-hydroxymethylfurfural (HMF) to 5-hydroxymethyl-2-furancarboxylic acid (HMFCA). The innovative synthesis approach ensures a well-crystallized and uniformly dispersed composite, critical for optimizing photocatalytic performance. By meticulously adjusting the composite ratio, this study fine-tunes the electronic structure and optoelectronic properties, enhancing light absorption and charge carrier dynamics. The BiOI/g-C<small><sub>3</sub></small>N<small><sub>4</sub></small> photocatalyst achieved a maximum HMFCA yield of 43.6% and selectivity of 68.1% under visible light irradiation, showcasing its potential for sunlight-driven biomass conversion. Moreover, the catalyst exhibited excellent stability and reusability, retaining performance after five recycling cycles with only a 6.6% decrease in HMFCA yield. This work not only advances the understanding of non-noble metal photocatalysts for sustainable biomass conversion but also aligns with the principles of green chemistry by employing a renewable resource-based approach and minimizing environmental impact.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 5","pages":" 1607-1618"},"PeriodicalIF":2.7,"publicationDate":"2024-12-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143107697","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Tuning of the structural, elastic, electronic, optical, and thermodynamic properties of TlCrX2 (X = S, Se) for optoelectronic and electronic devices
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2024-12-30 DOI: 10.1039/D4NJ04408H
Md. Sayedul Islam Babu, Md. Shahazan Parves, M. A. Rayhan, Hmoud Al-Dmour, Md. Rasheduzzaman, M. Moazzam Hossen, Yasir Arafat and Md. Zahid Hasan
{"title":"Tuning of the structural, elastic, electronic, optical, and thermodynamic properties of TlCrX2 (X = S, Se) for optoelectronic and electronic devices","authors":"Md. Sayedul Islam Babu, Md. Shahazan Parves, M. A. Rayhan, Hmoud Al-Dmour, Md. Rasheduzzaman, M. Moazzam Hossen, Yasir Arafat and Md. Zahid Hasan","doi":"10.1039/D4NJ04408H","DOIUrl":"https://doi.org/10.1039/D4NJ04408H","url":null,"abstract":"<p >For the first time, first-principles investigations using density functional theory (DFT) were thoroughly conducted on the structural, mechanical, optical, anisotropic, thermodynamic and electronic properties of TlCrX<small><sub>2</sub></small> (X = S, Se) materials. The mechanical stability of both compounds is confirmed as their elastic constants satisfy the Born criteria. The bulk modulus, Poisson's ratio and shear modulus have been utilized to investigate the mechanical stability of this compound. The comparisons of the elastic moduli show a significant correlation with previously obtained experimental data. Notably, TlCrSe<small><sub>2</sub></small> transitions from brittle to ductile when Se is substituted with S, improving its machinability for industrial uses. TlCrSe<small><sub>2</sub></small> is characterized by its softness, ductility, high machinability, and exceptional dry lubricity. Additionally, these materials display anisotropy. The melting temperature, phonon thermal conductivity, and Debye temperature of TlCrX<small><sub>2</sub></small> (X = S, Se) are low, while the compound shows a moderate Grüneisen parameter. TlCrX<small><sub>2</sub></small> compounds exhibit moderate Debye temperatures, low melting points, and Grüneisen parameters, indicating their potential use in thermal barrier coatings. In addition, an in-depth optical evaluation reveals that these compounds hold promise for use in electronic and optoelectronic devices. Both materials exhibit a high refractive index at low energy levels, including the visible spectrum, and uniform reflectivity across a wide range of photon energies. TlCrX<small><sub>2</sub></small> (X = S, Se) exhibit high UV absorption, making them excellent candidates for UV-related applications, such as surgical equipment disinfection, photovoltaic materials for X-ray phosphors, space technology and solid-state LED lighting. Their high reflectivity in the visible range suggests potential as efficient solar reflectors to minimize solar heating, while low reflectivity at higher energies (above 15 eV) and a high refractive index at low photon energies highlight their suitability for optoelectronic devices, including LEDs. These properties underscore their versatility for advanced optical and electronic applications.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 6","pages":" 2274-2290"},"PeriodicalIF":2.7,"publicationDate":"2024-12-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143107472","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Simple one-step hydrothermal preparation of Mn–NiS2 for hydrogen evolution in alkaline environments†
IF 2.7 3区 化学
New Journal of Chemistry Pub Date : 2024-12-28 DOI: 10.1039/D4NJ04797D
Junde Zhang, Xuejiao Xu, Dandan Liu, Aoze Wang, Shunyi Zhu and Guangming Nie
{"title":"Simple one-step hydrothermal preparation of Mn–NiS2 for hydrogen evolution in alkaline environments†","authors":"Junde Zhang, Xuejiao Xu, Dandan Liu, Aoze Wang, Shunyi Zhu and Guangming Nie","doi":"10.1039/D4NJ04797D","DOIUrl":"https://doi.org/10.1039/D4NJ04797D","url":null,"abstract":"<p >Transition metal sulfides (TMS) have garnered increasing attention in recent years as promising alternatives to traditional noble metal-based electrocatalysts for hydrogen evolution. In this paper, Mn–NiS<small><sub>2</sub></small> nanocomposites were synthesized <em>via</em> a one-step hydrothermal method. The incorporation of manganese into transition metal sulfides improved the surface active area and conductivity of the nanoparticles, creating additional hydrogen evolution sites and enhancing their catalytic performance. The results showed that the Mn<small><sub>0.5</sub></small>–NiS<small><sub>2</sub></small> electrode exhibited good catalytic performance and stability in alkaline environments. Mn<small><sub>0.5</sub></small>–NiS<small><sub>2</sub></small> electrode showed an overpotential of only 111 mV at a current density of 100 mA cm<small><sup>−2</sup></small> (η<small><sub>100</sub></small> = 111 mV), while it could be operated stably for 100 h at a constant voltage density of 100 mV cm<small><sup>−2</sup></small>. This work provides a simple and feasible approach for electrocatalytic materials for effective hydrogen evolution in alkaline environments.</p>","PeriodicalId":95,"journal":{"name":"New Journal of Chemistry","volume":" 5","pages":" 1640-1647"},"PeriodicalIF":2.7,"publicationDate":"2024-12-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143107643","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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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