Pub Date : 2024-02-01DOI: 10.1016/j.catcom.2024.106911
Yuwei Zhou , Xiao Yang , Xuan Tang , Yang Lou
Developing sulfur-tolerant catalysts for industrial application is crucial but yet challenging. Herein, carbon shells are introduced to Pt/CeO2 to inhibit the deactivation caused by SO2 for CO oxidation. The chemical properties and catalytic activity indicate that Pt/CeO2@C effectively sustains the valence state of Pt species and exhibits T100 of 180 °C for CO oxidation in the presence of SO2 and H2O. This approach provides a new perspective for enhancing the SO2 tolerance of catalysts for exhaust treatment.
为工业应用开发耐硫催化剂至关重要,但也极具挑战性。本文在 Pt/CeO 中引入了碳壳,以抑制 SO 在 CO 氧化过程中造成的失活。化学性质和催化活性表明,Pt/CeO@C 能有效维持铂的价态,在 SO 和 HO 存在的情况下,其 CO 氧化的 T 值为 180 ℃。这种方法为提高废气处理催化剂对 SO 的耐受性提供了一个新的视角。
{"title":"Enhancing SO2 tolerance of Pt/CeO2 catalyst for CO oxidation via carbon-coated layers","authors":"Yuwei Zhou , Xiao Yang , Xuan Tang , Yang Lou","doi":"10.1016/j.catcom.2024.106911","DOIUrl":"10.1016/j.catcom.2024.106911","url":null,"abstract":"<div><p>Developing sulfur-tolerant catalysts for industrial application is crucial but yet challenging. Herein, carbon shells are introduced to Pt/CeO<sub>2</sub> to inhibit the deactivation caused by SO<sub>2</sub> for CO oxidation. The chemical properties and catalytic activity indicate that Pt/CeO<sub>2</sub>@C effectively sustains the valence state of Pt species and exhibits T<sub>100</sub> of 180 °C for CO oxidation in the presence of SO<sub>2</sub> and H<sub>2</sub>O. This approach provides a new perspective for enhancing the SO<sub>2</sub> tolerance of catalysts for exhaust treatment.</p></div>","PeriodicalId":263,"journal":{"name":"Catalysis Communications","volume":"187 ","pages":"Article 106911"},"PeriodicalIF":3.7,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1566736724000712/pdfft?md5=c2392a150257501c78f713afc49c72d1&pid=1-s2.0-S1566736724000712-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140182135","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-02-01DOI: 10.1016/j.catcom.2024.106909
P. Haripriya , T. Anjana , K. Sreelakshmi , Nikhil T. Madhu , M. Anjana , P.V. Suneesh , Darbha V. Ravi Kumar
H2O2, a powerful oxidant with a vast number of industrial applications, is being synthesized by the energy intensive anthraquinone process. Recently, H2O2 has been synthesized using H2O and O2 by photocatalysis. Graphitic carbon nitride (g-C3N4) is a popular low-cost photocatalyst that is known to produce H2O2. However, the properties g-C3N4 needs to be tailored to improve the yield of H2O2. We discuss such a modification of g-C3N4 by alkali metal cation doping. Among the Li+, Na+ and K+ ions, doping of 10 wt% of K+ in g-C3N4 increase the yield of H2O2 (200 μmol g−1 h−1) by 2.5 times as compared un-doped g-C3N4 under natural sunlight.
HO 是一种强大的氧化剂,在工业上应用广泛,目前是通过高能耗的蒽醌工艺合成的。最近,人们通过光催化技术利用 HO 和 O 合成了 HO。氮化石墨碳(g-CN)是一种常用的低成本光催化剂,已知可以产生 HO。然而,需要对 g-CN 的特性进行调整,以提高 HO 的产量。我们讨论了通过掺杂碱金属阳离子对 g-CN 进行改性的问题。在 Li、Na 和 K 离子中,在 g-CN 中掺入 10 wt% 的 K,可将自然阳光下的 HO 产率(200 μmol g h)提高 2.5 倍。
{"title":"Effect of alkali metal cation doping in graphitic carbon nitride towards photocatalytic generation of hydrogen peroxide under direct sunlight","authors":"P. Haripriya , T. Anjana , K. Sreelakshmi , Nikhil T. Madhu , M. Anjana , P.V. Suneesh , Darbha V. Ravi Kumar","doi":"10.1016/j.catcom.2024.106909","DOIUrl":"10.1016/j.catcom.2024.106909","url":null,"abstract":"<div><p>H<sub>2</sub>O<sub>2,</sub> a powerful oxidant with a vast number of industrial applications, is being synthesized by the energy intensive anthraquinone process. Recently, H<sub>2</sub>O<sub>2</sub> has been synthesized using H<sub>2</sub>O and O<sub>2</sub> by photocatalysis. Graphitic carbon nitride (g-C<sub>3</sub>N<sub>4</sub>) is a popular low-cost photocatalyst that is known to produce H<sub>2</sub>O<sub>2</sub>. However, the properties g-C<sub>3</sub>N<sub>4</sub> needs to be tailored to improve the yield of H<sub>2</sub>O<sub>2</sub>. We discuss such a modification of g-C<sub>3</sub>N<sub>4</sub> by alkali metal cation doping. Among the Li<sup>+</sup>, Na<sup>+</sup> and K<sup>+</sup> ions, doping of 10 wt% of K<sup>+</sup> in g-C<sub>3</sub>N<sub>4</sub> increase the yield of H<sub>2</sub>O<sub>2</sub> (200 μmol g<sup>−1</sup> h<sup>−1</sup>) by 2.5 times as compared un-doped g-C<sub>3</sub>N<sub>4</sub> under natural sunlight.</p></div>","PeriodicalId":263,"journal":{"name":"Catalysis Communications","volume":"187 ","pages":"Article 106909"},"PeriodicalIF":3.7,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1566736724000694/pdfft?md5=eb45e617f6c13b5e8a34ae62393d9546&pid=1-s2.0-S1566736724000694-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140182186","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
For the first time, the successful synthesis of 4,4-bis(5-methylthiophen-2-yl)pentanoic acid (bisthiophenic acid-methyl; BTA-M) and its alkyl esters (BTAE-M) from levulinic acid (LA) and its esters with 2-Methylthiophene (2-Met) has been achieved, utilizing solid acid catalysts (Amberlyst-15 and Indion-190). Notably, Indion-190, a cost-effective catalyst, demonstrated the formation of BTA-M and bisthiophenic methyl ester-methyl (BTME-M) with 96–98% selectivities and 99% conversion of LA and methyl levulinate under optimized, solvent-free reaction conditions. The recyclability of Indion-190 has been showcased, maintaining good recyclability for the preparation of BTA-M and BTME-M over three reaction cycles, with a slight decrease in the conversion of reactants.
{"title":"Preparation of 4,4-bis(5-methylthiophen-2-yl)pentanoic acid from biomass-based functional molecules using solid acid catalysts","authors":"Sreedhar Gundekari , Rajathsing Kalusulingam , Mohan Varkolu , Kannan Srinivasan","doi":"10.1016/j.catcom.2024.106906","DOIUrl":"10.1016/j.catcom.2024.106906","url":null,"abstract":"<div><p>For the first time, the successful synthesis of 4,4-bis(5-methylthiophen-2-yl)pentanoic acid (bisthiophenic acid-methyl; BTA-M) and its alkyl esters (BTAE-M) from levulinic acid (LA) and its esters with 2-Methylthiophene (2-Met) has been achieved, utilizing solid acid catalysts (Amberlyst-15 and Indion-190). Notably, Indion-190, a cost-effective catalyst, demonstrated the formation of BTA-M and bisthiophenic methyl ester-methyl (BTME-M) with 96–98% selectivities and 99% conversion of LA and methyl levulinate under optimized, solvent-free reaction conditions. The recyclability of Indion-190 has been showcased, maintaining good recyclability for the preparation of BTA-M and BTME-M over three reaction cycles, with a slight decrease in the conversion of reactants.</p></div>","PeriodicalId":263,"journal":{"name":"Catalysis Communications","volume":"187 ","pages":"Article 106906"},"PeriodicalIF":3.7,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1566736724000669/pdfft?md5=6e758addf86a9a36ba45a75facf4735c&pid=1-s2.0-S1566736724000669-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140182273","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Reed flower-like SmMnOx and cauliflower-like SmMnOx-rGO catalysts were successfully synthesized by a coprecipitation-coupled solvothermal method for selective catalytic reduction (SCR) of NOx. The NOx conversion of the two catalysts is more than 90% in the temperature range of 75–200 °C, and the N2 selectivity of SmMnOx-rGO is above 90%. Moreover, both of them exhibit more than 62% of resistance to H2O and SO2 at a very low temperature of 100 °C, much superior than the fluffy spherical SmMnOx prepared by coprecipitation method. The strong synergy between Mn and Sm endowed by the flower-like structure contributes to a low degree of crystallization, a high ratio of (Mn3++Mn4+)/Mn, more chemisorbed oxygen species, strong redox ability, and more Lewis acid sites, hence effectively enhancing low-temperature SCR activity and resistance to H2O and SO2. In addition, the decreased ratio of Mn4+/Mn after rGO doping hinders the side reaction of NH3 oxidation, thus enhancing the N2 selectivity of rGO-doped SmMnOx catalyst.
{"title":"Enhanced low-temperature selective catalytic reduction (SCR) activity and H2O and SO2 resistance of flower-like SmMnOx and SmMnOx-rGO catalysts","authors":"Yungang He , Sitong Meng , Haofeng Zhu , Kaijiao Duan , Yumei Duan , Jing Zhang , Lijuan Jia , Mingwu Xiang , Vishesh Manjunath , Ezhumalai David , Sivasankar Koppala","doi":"10.1016/j.catcom.2024.106908","DOIUrl":"10.1016/j.catcom.2024.106908","url":null,"abstract":"<div><p>Reed flower-like SmMnO<sub>x</sub> and cauliflower-like SmMnO<sub>x</sub>-rGO catalysts were successfully synthesized by a coprecipitation-coupled solvothermal method for selective catalytic reduction (SCR) of NO<sub>x</sub>. The NO<sub>x</sub> conversion of the two catalysts is more than 90% in the temperature range of 75–200 °C, and the N<sub>2</sub> selectivity of SmMnO<sub>x</sub>-rGO is above 90%. Moreover, both of them exhibit more than 62% of resistance to H<sub>2</sub>O and SO<sub>2</sub> at a very low temperature of 100 °C, much superior than the fluffy spherical SmMnO<sub>x</sub> prepared by coprecipitation method. The strong synergy between Mn and Sm endowed by the flower-like structure contributes to a low degree of crystallization, a high ratio of (Mn<sup>3+</sup>+Mn<sup>4+</sup>)/Mn, more chemisorbed oxygen species, strong redox ability, and more Lewis acid sites, hence effectively enhancing low-temperature SCR activity and resistance to H<sub>2</sub>O and SO<sub>2.</sub> In addition, the decreased ratio of Mn<sup>4+</sup>/Mn after rGO doping hinders the side reaction of NH<sub>3</sub> oxidation, thus enhancing the N<sub>2</sub> selectivity of rGO-doped SmMnO<sub>x</sub> catalyst.</p></div>","PeriodicalId":263,"journal":{"name":"Catalysis Communications","volume":"187 ","pages":"Article 106908"},"PeriodicalIF":3.7,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1566736724000682/pdfft?md5=0b10f182f4c6d03e941c5c0d3d2769d6&pid=1-s2.0-S1566736724000682-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140182298","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-02-01DOI: 10.1016/j.catcom.2024.106881
Chenan Yang, Yi Liu, Ying Hu, Peng Wang, Yuling Yang, Shangxing Chen, Zongde Wang, Xiang Li
Catalytic valorization of biomass into high energy density fuels plays a vital role in order to achieve future carbon neutrality. Herein, a class of H-MZ-5 catalysts with different mesoporous pore structures and acid site properties were synthesized. Among them, HMZ-5 prepared with tetrapropylammonium bromide (TPABr) and hexadecyltrimethylammonium bromide (CTAB) as templating agents showed the most excellent catalytic activity and selectivity of α-pinene dimerization. Under optimal catalytic conditions, 100% α-pinene was converted with 89.6% selectivity to dimers. The efficient catalytic activity and affordability of the catalysts in this system make it promising for industrial applications.
{"title":"Highly efficient synthesis of high-density biofuels from biomass-derived α-pinene catalyzed by mesoporous H-ZSM-5","authors":"Chenan Yang, Yi Liu, Ying Hu, Peng Wang, Yuling Yang, Shangxing Chen, Zongde Wang, Xiang Li","doi":"10.1016/j.catcom.2024.106881","DOIUrl":"10.1016/j.catcom.2024.106881","url":null,"abstract":"<div><p>Catalytic valorization of biomass into high energy density fuels plays a vital role in order to achieve future carbon neutrality. Herein, a class of H-MZ-5 catalysts with different mesoporous pore structures and acid site properties were synthesized. Among them, HMZ-5 prepared with tetrapropylammonium bromide (TPABr) and hexadecyltrimethylammonium bromide (CTAB) as templating agents showed the most excellent catalytic activity and selectivity of α-pinene dimerization. Under optimal catalytic conditions, 100% α-pinene was converted with 89.6% selectivity to dimers. The efficient catalytic activity and affordability of the catalysts in this system make it promising for industrial applications.</p></div>","PeriodicalId":263,"journal":{"name":"Catalysis Communications","volume":"187 ","pages":"Article 106881"},"PeriodicalIF":3.7,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1566736724000414/pdfft?md5=4e92f60e4a415fea7fc96649ea8916ef&pid=1-s2.0-S1566736724000414-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139954377","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-02-01DOI: 10.1016/j.catcom.2024.106894
Sebastiano Campisi , Silvio Bellomi , Lidia E. Chinchilla , Marta Stucchi , Laura Prati , Alberto Roldan , Davide Ferri , Alberto Villa
Furfural is a versatile platform molecule and a model compound to explore the key factors influencing activity and selectivity in heterogeneous catalysis. In this study, Pd and AuPd nanoparticles (average size 3.5–4 nm) were deposited on TiO2 by sol immobilization method and were evaluated for liquid-phase furfural hydrogenation. Alloying Au and Pd caused a decrease in activity, an enhancement in stability, and a change in selectivity, favouring the complete hydrogenation of furfural over the decarbonylation reaction. These variations in catalytic performance were elucidated by combining in situ attenuated total reflectance infrared spectroscopy and density functional theory studies.
糠醛是一种用途广泛的平台分子,也是探索影响异相催化活性和选择性关键因素的模型化合物。本研究采用溶胶固定法在 TiO 上沉积了 Pd 和 AuPd 纳米粒子(平均尺寸为 3.5-4 nm),并对其在液相糠醛加氢中的应用进行了评估。金和钯的合金化导致活性降低、稳定性增强和选择性改变,使糠醛的完全氢化反应优于脱羰基反应。通过结合原位衰减全反射红外光谱和密度泛函理论研究,阐明了催化性能的这些变化。
{"title":"Effects of alloying palladium with gold in furfural hydrogenation:An in situ ATR-IR spectroscopy and density functional theory study","authors":"Sebastiano Campisi , Silvio Bellomi , Lidia E. Chinchilla , Marta Stucchi , Laura Prati , Alberto Roldan , Davide Ferri , Alberto Villa","doi":"10.1016/j.catcom.2024.106894","DOIUrl":"10.1016/j.catcom.2024.106894","url":null,"abstract":"<div><p>Furfural is a versatile platform molecule and a model compound to explore the key factors influencing activity and selectivity in heterogeneous catalysis. In this study, Pd and AuPd nanoparticles (average size 3.5–4 nm) were deposited on TiO<sub>2</sub> by sol immobilization method and were evaluated for liquid-phase furfural hydrogenation. Alloying Au and Pd caused a decrease in activity, an enhancement in stability, and a change in selectivity, favouring the complete hydrogenation of furfural over the decarbonylation reaction. These variations in catalytic performance were elucidated by combining in situ attenuated total reflectance infrared spectroscopy and density functional theory studies.</p></div>","PeriodicalId":263,"journal":{"name":"Catalysis Communications","volume":"187 ","pages":"Article 106894"},"PeriodicalIF":3.7,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1566736724000542/pdfft?md5=76c0ac375c3399647f15f3790d44968e&pid=1-s2.0-S1566736724000542-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140045429","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-02-01DOI: 10.1016/j.catcom.2024.106868
Jiaxin Liu , Pengcheng Xiu , Yafei Zhu , Kanghong Wang , Shanshan Tong , Yunpeng Ma , Haoquan Guo , Xiaoli Gu
Lignin is an aromatic polymer with prospects for producing high value-added chemicals. In this study, hydrogenolysis of alkaline lignin was carried out at 240 °C for 8 h in a hydrothermal kettle using Ni/xCeO2-yAl2O3 as catalyst and formic acid as hydrogen source. Compared with Ni catalysts supported by single oxides, the results showed that Ni/xCeO2-yAl2O3 composite-supported catalysts exhibited better catalytic depolymerization performance with higher bio-oil yields. Among them, Ni/1CeO2–3Al2O3 exhibited the most outstanding catalytic activity, with a bio-oil yield of 52.77 wt% and a phenolic compound yield of 7.21 wt%.
木质素是一种芳香族聚合物,具有生产高附加值化学品的前景。本研究以 Ni/xCeO2-yAl2O3 为催化剂,甲酸为氢源,在水热反应釜中于 240 °C 下对碱性木质素进行了 8 小时的氢解反应。结果表明,与单一氧化物支撑的 Ni 催化剂相比,Ni/xCeO2-yAl2O3 复合支撑的催化剂具有更好的催化解聚性能和更高的生物油产率。其中,Ni/1CeO2-3Al2O3 的催化活性最为突出,生物油产率为 52.77 wt%,酚类化合物产率为 7.21 wt%。
{"title":"Catalytic hydrogenolysis of lignin over Ni/CeO2-Al2O3 catalysts with formic acid as hydrogen source","authors":"Jiaxin Liu , Pengcheng Xiu , Yafei Zhu , Kanghong Wang , Shanshan Tong , Yunpeng Ma , Haoquan Guo , Xiaoli Gu","doi":"10.1016/j.catcom.2024.106868","DOIUrl":"10.1016/j.catcom.2024.106868","url":null,"abstract":"<div><p>Lignin is an aromatic polymer with prospects for producing high value-added chemicals. In this study, hydrogenolysis of alkaline lignin was carried out at 240 °C for 8 h in a hydrothermal kettle using Ni/xCeO<sub>2</sub>-yAl<sub>2</sub>O<sub>3</sub> as catalyst and formic acid as hydrogen source. Compared with Ni catalysts supported by single oxides, the results showed that Ni/xCeO<sub>2</sub>-yAl<sub>2</sub>O<sub>3</sub> composite-supported catalysts exhibited better catalytic depolymerization performance with higher bio-oil yields. Among them, Ni/1CeO<sub>2</sub>–3Al<sub>2</sub>O<sub>3</sub> exhibited the most outstanding catalytic activity, with a bio-oil yield of 52.77 wt% and a phenolic compound yield of 7.21 wt%.</p></div>","PeriodicalId":263,"journal":{"name":"Catalysis Communications","volume":"187 ","pages":"Article 106868"},"PeriodicalIF":3.7,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1566736724000281/pdfft?md5=b255cb7101a06c852ef4d0b9a06c7b7b&pid=1-s2.0-S1566736724000281-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139816762","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-02-01DOI: 10.1016/j.catcom.2024.106872
Ali H. Bashal
This study's objective is to examine the potential of the chitosan-supported Ag and Ag2O nanoparticles on the reduction of CO2. The transition state of the reduction reaction was systematically calculated using the nudged elastic band and the semi-empirical tight-binding calculations. It is found that the large charge polarization on the Ag and Ag2O nanoclusters can modulate chitosan's surface reactivity. The formation of the metal hydrates is the rate-determining step for reducing CO2. The calculated activation energy of the order of 1.5 eV demonstrates that Ag and Ag2O /chitosan could be used as catalysts for converting to CO2 formic acid.
本研究旨在考察壳聚糖支撑的 Ag 和 Ag2O 纳米粒子在还原 CO2 方面的潜力。利用裸弹带和半经验紧束缚计算系统地计算了还原反应的过渡态。研究发现,Ag 和 Ag2O 纳米团簇上的大电荷极化可以调节壳聚糖的表面反应活性。金属水合物的形成是还原 CO2 的决定性步骤。计算得出的活化能约为 1.5 eV,这表明 Ag 和 Ag2O / 壳聚糖可用作将甲酸转化为二氧化碳的催化剂。
{"title":"Adopting chitosan supported Ag and Ag2O nano-clusters for catalytic hydrogenation of CO2 to formic acid: A quantum semi-empirical calculation","authors":"Ali H. Bashal","doi":"10.1016/j.catcom.2024.106872","DOIUrl":"10.1016/j.catcom.2024.106872","url":null,"abstract":"<div><p>This study's objective is to examine the potential of the chitosan-supported Ag and Ag<sub>2</sub>O nanoparticles on the reduction of CO<sub>2</sub>. The transition state of the reduction reaction was systematically calculated using the nudged elastic band and the semi-empirical tight-binding calculations. It is found that the large charge polarization on the Ag and Ag<sub>2</sub>O nanoclusters can modulate chitosan's surface reactivity. The formation of the metal hydrates is the rate-determining step for reducing CO<sub>2</sub>. The calculated activation energy of the order of 1.5 eV demonstrates that Ag and Ag<sub>2</sub>O /chitosan could be used as catalysts for converting to CO<sub>2</sub> formic acid<sub>.</sub></p></div>","PeriodicalId":263,"journal":{"name":"Catalysis Communications","volume":"187 ","pages":"Article 106872"},"PeriodicalIF":3.7,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1566736724000323/pdfft?md5=46d6838000b0c851c7f138ca82ef4eba&pid=1-s2.0-S1566736724000323-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139818266","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-02-01DOI: 10.1016/j.catcom.2024.106867
Jarvin Mariadhas , Yathavan Subramanian , Ganesh Lakshmanan , Fazil Hamsath , Jeyarajan Helen Ratna Monica , Minh Thang Le , Savairoyan Stephen Rajkumar Inbanathan , Abul K. Azad
Molybdenum disulfide /reduced Graphene Oxide /Polyaniline nanocomposites (NCs) was prepared via a two-step synthesis procedures involving hydrothermal and in-situ chemical polymerization techniques. The morphological analysis revealed a well-interconnected structure. X-ray diffraction and Raman spectroscopy revealed the effective formation of the nanocomposites, while Ultraviolet-diffuse reflectance spectroscopy demonstrated enhanced visible light absorption. The degradation rates were up to 96.59% for Methylene Blue, 70.24% for Rhodamine Blue, and 46.03% for Methyl Orange under sunlight light irradiation. The antimicrobial activity of the NCs against various strains, including Escherichia coli, Candida Albicans, and Staphylococcus aureus showed that the prepared nanocomposite possesses better effectiveness against Candida Albicans.
{"title":"Emerging robust heterostructure of flower-like (Calendula) MoS2-warped rGO by polyaniline nanohybrid for antimicrobial and antipollution performances","authors":"Jarvin Mariadhas , Yathavan Subramanian , Ganesh Lakshmanan , Fazil Hamsath , Jeyarajan Helen Ratna Monica , Minh Thang Le , Savairoyan Stephen Rajkumar Inbanathan , Abul K. Azad","doi":"10.1016/j.catcom.2024.106867","DOIUrl":"10.1016/j.catcom.2024.106867","url":null,"abstract":"<div><p>Molybdenum disulfide /reduced Graphene Oxide /Polyaniline nanocomposites (NCs) was prepared via a two-step synthesis procedures involving hydrothermal and in-situ chemical polymerization techniques. The morphological analysis revealed a well-interconnected structure. X-ray diffraction and Raman spectroscopy revealed the effective formation of the nanocomposites, while Ultraviolet-diffuse reflectance spectroscopy demonstrated enhanced visible light absorption. The degradation rates were up to 96.59% for Methylene Blue, 70.24% for Rhodamine Blue, and 46.03% for Methyl Orange under sunlight light irradiation. The antimicrobial activity of the NCs against various strains, including <em>Escherichia coli</em>, <em>Candida Albicans</em>, and <em>Staphylococcus aureus</em> showed that the prepared nanocomposite possesses better effectiveness against <em>Candida Albicans</em>.</p></div>","PeriodicalId":263,"journal":{"name":"Catalysis Communications","volume":"187 ","pages":"Article 106867"},"PeriodicalIF":3.7,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S156673672400027X/pdfft?md5=1ad4393c378a0c53d35d1f221a318ae9&pid=1-s2.0-S156673672400027X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139829846","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-02-01DOI: 10.1016/j.catcom.2024.106879
Mehak Bansal , Kamya Jasuja , Raj Kumar Das
Due to the uncontrolled discharge of textile effluents, the extent of reactive dyes in wastewater is rising. Due to their toxicity, efficient removal becomes quite essential. In this report, NiAl layered double hydroxide (LDH) has been prepared using the coprecipitation methodology for the photocatalytic degradation of reactive dyes. The as-prepared materials were characterized by different techniques, such as DRS, XRD, FESEM, HRTEM, and XPS etc. The XRD pattern of the LDH confirms the formation of the rhombohedral (R3m) phase. The FESEM analysis reveals the irregular hexagon-like shape of the prepared LDH. The NiAl LDH has 98(1) and 87(1)% photodegradation efficiencies towards the removal of reactive blue 19 and reactive Red 120, respectively. The control experiments in the presence of different scavengers confirm that hydroxyl radicals and superoxide anions participate in photocatalytic degradation. The HRMS studies confirm the formation of different smaller fragments, thereby providing a deeper insight into the photodegradation mechanism. Moreover, the demineralization efficiency (88.9%) is quite close to the degradation efficiency for reactive blue 19, signifying practically complete demineralization of the pollutants. The recyclability studies ascertain the high stability of the photocatalyst. Therefore, the as-prepared NiAl LDHs can be considered a promising photocatalyst for the removal of reactive dyes from wastewater.
{"title":"Photocatalytic degradation of reactive dyes over NiAl layered double hydroxide","authors":"Mehak Bansal , Kamya Jasuja , Raj Kumar Das","doi":"10.1016/j.catcom.2024.106879","DOIUrl":"10.1016/j.catcom.2024.106879","url":null,"abstract":"<div><p>Due to the uncontrolled discharge of textile effluents, the extent of reactive dyes in wastewater is rising. Due to their toxicity, efficient removal becomes quite essential. In this report, Ni<img>Al layered double hydroxide (LDH) has been prepared using the coprecipitation methodology for the photocatalytic degradation of reactive dyes. The as-prepared materials were characterized by different techniques, such as DRS, XRD, FESEM, HRTEM, and XPS etc. The XRD pattern of the LDH confirms the formation of the rhombohedral (<em>R</em>3m) phase. The FESEM analysis reveals the irregular hexagon-like shape of the prepared LDH. The Ni<img>Al LDH has 98(1) and 87(1)% photodegradation efficiencies towards the removal of reactive blue 19 and reactive Red 120, respectively. The control experiments in the presence of different scavengers confirm that hydroxyl radicals and superoxide anions participate in photocatalytic degradation. The HRMS studies confirm the formation of different smaller fragments, thereby providing a deeper insight into the photodegradation mechanism. Moreover, the demineralization efficiency (88.9%) is quite close to the degradation efficiency for reactive blue 19, signifying practically complete demineralization of the pollutants. The recyclability studies ascertain the high stability of the photocatalyst. Therefore, the as-prepared Ni<img>Al LDHs can be considered a promising photocatalyst for the removal of reactive dyes from wastewater.</p></div>","PeriodicalId":263,"journal":{"name":"Catalysis Communications","volume":"187 ","pages":"Article 106879"},"PeriodicalIF":3.7,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S1566736724000396/pdfft?md5=506f048d4cd5045085080f8e8670321c&pid=1-s2.0-S1566736724000396-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139924528","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}