Adsorption最新文献_第5页

Development of composites from titanate nanotubes, layered double hydroxides, and oyster shells for the enhanced removal of methylene blue, acid red 1, and congo red from aqueous solutions 钛酸盐纳米管、层状双氢氧化物和牡蛎壳复合材料的开发，用于增强水溶液中亚甲基蓝、酸性红1和刚果红的去除

IF 3 4区工程技术

Adsorption Pub Date : 2024-12-04 DOI: 10.1007/s10450-024-00567-3

Emeralda Eka Putri Setyawati, Jin-Wei Zhang, Nguyen Duy Hai, Muhammad Al Kholif, Muhammad Roil Bilad, Huan-Ping Chao

{"title":"Development of composites from titanate nanotubes, layered double hydroxides, and oyster shells for the enhanced removal of methylene blue, acid red 1, and congo red from aqueous solutions","authors":"Emeralda Eka Putri Setyawati, Jin-Wei Zhang, Nguyen Duy Hai, Muhammad Al Kholif, Muhammad Roil Bilad, Huan-Ping Chao","doi":"10.1007/s10450-024-00567-3","DOIUrl":"10.1007/s10450-024-00567-3","url":null,"abstract":"<div><p>The composite adsorbent derived from titanate nanotubes (TNTs), layered double hydroxides (LDHs) and oyster shell (OS) were used to removal cationic and anionic dyes. Scanning electron microscopy confirmed the successful integration of TNTs, LDHs, and OS, displaying distinct rod-like and hexagonal structures, as well as a rough surface. Energy dispersive spectroscopy identified essential elements such as calcium, sodium, oxygen, titanium, and aluminum, critical for the composite’s functionality. X-ray diffraction revealed characteristic peaks corresponding to anatase-phase titanium dioxide, LDHs, and calcium carbonate, validating TLO’s structural integrity. Fourier-transform infrared spectroscopy detected functional groups vital for adsorption, including OH-, Ti-O, and Ca-O bonds. BET surface area analysis (BET) showed a significantly larger surface area of 82.11 m²/g for TLO compared to its individual components, enhancing its adsorption capacity. Zeta potential analysis demonstrated a variable surface charge across a range of pH values, enabling TLO to effectively adsorb both cationic and anionic pollutants. Methylene blue, acid red 1, and congo red, in pH 3 to 9 solutions, showed high capacities, with maximum values of 1111 mg/g for methylene blue, 357 mg/g for acid red 1, and 192 mg/g for congo red. These results highlight TLO’s strong electrostatic attraction and ion exchange for cationic dyes, and surface precipitation for anionic dyes, particularly in neutral to alkaline environments. TLO is regarded as an effective material for advanced wastewater treatment.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10450-024-00567-3.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142778187","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Innovation in radiolabeling methods: iodine adsorption characteristics on porous silica nanoparticles 放射性标记方法的创新：碘在多孔二氧化硅纳米颗粒上的吸附特性

IF 3 4区工程技术

Adsorption Pub Date : 2024-12-04 DOI: 10.1007/s10450-024-00572-6

Maria Christina Prihatiningsih, Teguh Ariyanto, Edy Giri Rachman Putra, Puji Widayati, Hersandy Dayu Kusuma, Imam Prasetyo

{"title":"Innovation in radiolabeling methods: iodine adsorption characteristics on porous silica nanoparticles","authors":"Maria Christina Prihatiningsih, Teguh Ariyanto, Edy Giri Rachman Putra, Puji Widayati, Hersandy Dayu Kusuma, Imam Prasetyo","doi":"10.1007/s10450-024-00572-6","DOIUrl":"10.1007/s10450-024-00572-6","url":null,"abstract":"<div><p>Investigation of NaI adsorption on Porous Silica Nanoparticles (PSN-blank) and functionalized PSN (PSN-NH<sub>2</sub>) was conducted to study the possibility of PSN radiolabeling using adsorption techniques. This research aims to study the radiolabeling of <sup>131</sup>I compounds with porous material nanoparticles using the adsorption method. The study began with the adsorption study of NaI (non-radioactive) to understand the initial adsorption behavior on two types of nanoparticles: PSN-Blank and PSN-NH<sub>2</sub>. Adsorption parameters such as temperature, time, pH, initial concentration of adsorbate, and functional groups were studied to predict the most influential parameters in the radiolabeling process. The adsorption kinetics were evaluated to determine whether they tended to be pseudo-first or pseudo-second order. The NaI adsorption isotherms on PSN-Blank and PSN-NH<sub>2</sub> at different temperatures were also tested using the Langmuir and Freundlich models. The investigation results showed that the adsorption of NaI on PSN-Blank and PSN-NH<sub>2</sub> was spontaneous, endothermic, tended to obey pseudo-second-order adsorption kinetics, and the adsorption isotherm of the Langmuir model. The activation energy of NaI adsorption on PSN-NH<sub>2</sub> was higher than that on PSN-Blank. After the adsorption characteristics of NaI by PSN and PSN-NH<sub>2</sub> were comprehended, actual radiolabeling experiments using the <sup>131</sup>INaI adsorption were carried out. The radiolabeling results showed, the presence of amine groups increases the adsorption rate of PSN and makes the PSN bond with the labeled compound more stable. The presence of amine groups increases the radiochemical yield and stability of <sup>131</sup>I-labeled PSN compounds.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142778509","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synthesis, characterization, and application of carbon black nanoparticles in the removal of methylene blue dye 纳米碳黑在亚甲基蓝染料脱除中的合成、表征及应用

IF 3 4区工程技术

Adsorption Pub Date : 2024-12-04 DOI: 10.1007/s10450-024-00566-4

Guillermo Martínez Cadena, Diana Vargas Hernández, Diana Laura Villegas Coronado, Judith Celina Tánori Córdova, Amir Darío Maldonado Arce

{"title":"Synthesis, characterization, and application of carbon black nanoparticles in the removal of methylene blue dye","authors":"Guillermo Martínez Cadena, Diana Vargas Hernández, Diana Laura Villegas Coronado, Judith Celina Tánori Córdova, Amir Darío Maldonado Arce","doi":"10.1007/s10450-024-00566-4","DOIUrl":"10.1007/s10450-024-00566-4","url":null,"abstract":"<div><p>In this work, efficient black carbon nanoparticles were prepared rubber under O<sub>2</sub> and Ar atmosphere for the removal of methylene blue (MB). The nanomaterials obtained were characterized using SEM, N<sub>2</sub> adsorption isotherms, XRD, EDS, TGA, DLS, RAMAN, FTIR, UV-Vis and cytotoxic test. Batch experiments were carried out to study the impact of the MB contact on adsorbates varying the contact time an MB initial concentration. The optimal fit was by pseudo-second-order model of the experimental data of the adsorption kinetics in both adsorbents. The BCNPO presents a greater rate of adsorption of 30 mg/L of MB at 9 min can be due to the greater surface area with respect to the 7.5 mg/L of MB on BCNPA. The isotherms adsorption of MB in adsorbents was fit at Langmuir and Freundlich models. The data demonstrated that physisorption mechanisms predominantly dictated both the rate and interaction adsorbate-adsorbent of the adsorption process. The results showed that both physisorption mechanisms controlled the adsorption rate and capacity. All the samples showed selectivity toward MB. The maximum efficiency of adsorption of MB was found to be 130 and 28 mg/g in BCNPO and BCNPA, respectively. The adsorbed amounts of MB on the BCNPO are greater than those on BCNPA; this result can be due to a larger surface area, pore diameter and the presence of the OH groups on the surface of the BCNPA sample rather than interaction with cationic of MB. Additionally, the viability of cells exposed toward BCNPO and BCNPA showed low toxicity that were important result for potential water remediation applications. The adsorption of MB dye on BCNPA and BCNPO is a spontaneous and exothermic process.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142778244","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Optimization of hydrogen storage at ambient temperature via central composite design using hybrid nanocomposites of zeolitic imidazolate frameworks-8 incorporated rice husk graphene-like as adsorbent 以稻壳类石墨烯为吸附剂的咪唑酸骨架-8杂化纳米复合材料为中心设计优化室温储氢性能

IF 3 4区工程技术

Adsorption Pub Date : 2024-12-04 DOI: 10.1007/s10450-024-00561-9

N. F. T. Arifin, N. Yusof, M. R. Adam, M. A. B. Pauzan, N. A. H. M. Nordin, A. F. Ismail, F. Aziz, J. Jaafar, W. N. W. Salleh, S. Chelliapan

{"title":"Optimization of hydrogen storage at ambient temperature via central composite design using hybrid nanocomposites of zeolitic imidazolate frameworks-8 incorporated rice husk graphene-like as adsorbent","authors":"N. F. T. Arifin, N. Yusof, M. R. Adam, M. A. B. Pauzan, N. A. H. M. Nordin, A. F. Ismail, F. Aziz, J. Jaafar, W. N. W. Salleh, S. Chelliapan","doi":"10.1007/s10450-024-00561-9","DOIUrl":"10.1007/s10450-024-00561-9","url":null,"abstract":"<div><p>Surface area and porosity are the main factors that affect hydrogen storage at room temperature. However, there are several external factors such as pressure of gas, reaction time and the amount of sample used during the process that might affect the performance of the hybrid nanocomposites towards hydrogen storage. In this study, central composite design (CCD) for response surface methodology (RSM) was used in determining the optimum conditions namely mass of sample (A), pressure of hydrogen gas (B) and reaction time (C) towards the hydrogen storage at room temperature. Rice husk derived graphene-like material (GRHC) was added into zeolitic imidazolate frameworks-8 (ZIF-8) to form a hybrid nanocomposite of ZIF-8/GRHC (ZGK) via<i> in-situ</i> synthesis. Due to synergistic effect, the surface area of ZGK (1065.51 m<sup>2</sup>/g) shows a great enhancement as 0.04 g GRHC was introduced as compared to pristine ZIF-8 (687.32 m<sup>2</sup>/g). On the other hand, the thermal stability of ZGK improved significantly as it can withstand up to 1000 ºC as compared to pristine GRHC and ZIF-8 respectively. Due to superior physicochemical properties of ZGK, it was chosen to undergo optimization of hydrogen storage at room temperature. From the confirmatory test which was run for three times, the optimum hydrogen storage at room temperature in ZGK was 1.95 wt.% when 0.50 g of ZGK was used; 15 bar of hydrogen gas was applied and the reaction time was 60 min as per suggested from the CCD.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142778246","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synthesis and characterization of zwitterionic hydrogels with Ag@g-C3N4 for adsorption-photocatalytic removal of methylene blue and methyl orange dyes 吸附光催化去除亚甲基蓝和甲基橙染料的Ag@g-C3N4两性离子水凝胶的合成与表征

IF 3 4区工程技术

Adsorption Pub Date : 2024-12-04 DOI: 10.1007/s10450-024-00560-w

Jinze Wu, Jiale Yao, Xiping Zhu, Danying Zuo, Hongwei Zhang, Shuai Jiang, Hongjun Li

{"title":"Synthesis and characterization of zwitterionic hydrogels with Ag@g-C3N4 for adsorption-photocatalytic removal of methylene blue and methyl orange dyes","authors":"Jinze Wu, Jiale Yao, Xiping Zhu, Danying Zuo, Hongwei Zhang, Shuai Jiang, Hongjun Li","doi":"10.1007/s10450-024-00560-w","DOIUrl":"10.1007/s10450-024-00560-w","url":null,"abstract":"<div><p>Most hydrogels for dye treatment only have the adsorption ability for anionic or cationic dyes, while a few zwitterionic hydrogels that can adsorb both anionic and cationic dyes need a complicated regeneration process when they are reused. To prepare reusable zwitterionic adsorbent hydrogels, in this paper, a zwitterionic composite hydrogel with Ag@g-C<sub>3</sub>N<sub>4</sub> was prepared, which not only can adsorb both anionic and cationic dyes but also has photocatalytic degradation ability. The scanning electron microscopy images show that the optimum hydrogel has a large number of micro pores for dye adsorption. The adsorption capacity of the hydrogel achieves the highest in mixed dye concentration of 50 mg·L<sup>-1</sup> with pH value of 7–9. Benefiting from the synergistic effect of adsorption and photocatalytic degradation, the removal efficiency of methyl orange and methylene blue in mixed dyes was up to 93.86% and 91.80%, respectively. The photocatalytic activity trapping experiments showed that superoxide radicals as well as hydroxyl radicals played a major role in photocatalytic degradation. After 5 consecutive photocatalytic degradations, the removal ratio of the hydrogel for dyes was still above 80%, indicating good photocatalytic degradation and reusability properties. This research suggested the zwitterionic composite hydrogel has a promising prospect in removing dyes from wastewater treatment.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142778247","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Adsorption of desflurane (C3H2F6O) molecule on the Cr and Cu modified WS2 nanosheets: a DFT study 地氟烷（c3h2f60）分子在Cr和Cu修饰WS2纳米片上的吸附：DFT研究

IF 3 4区工程技术

Adsorption Pub Date : 2024-12-04 DOI: 10.1007/s10450-024-00564-6

Farag M. A. Altalbawy, Hana Ihsan Hassan, Suhas Ballal, Mamata Chahar, Nashwan Salah Aldeen Darwish, Suman Saini, G. V. Siva Prasad, Ali Fawzi Al-Hussainy, Majeed M. Abid, Zainab Jamal Hamoodah, Muthna kereem

{"title":"Adsorption of desflurane (C3H2F6O) molecule on the Cr and Cu modified WS2 nanosheets: a DFT study","authors":"Farag M. A. Altalbawy, Hana Ihsan Hassan, Suhas Ballal, Mamata Chahar, Nashwan Salah Aldeen Darwish, Suman Saini, G. V. Siva Prasad, Ali Fawzi Al-Hussainy, Majeed M. Abid, Zainab Jamal Hamoodah, Muthna kereem","doi":"10.1007/s10450-024-00564-6","DOIUrl":"10.1007/s10450-024-00564-6","url":null,"abstract":"<div><p>This work explores the sensing capabilities of Cr and Cu modified WS<sub>2</sub> nanosheets in detecting desflurane (C<sub>3</sub>H<sub>2</sub>F<sub>6</sub>O) molecule to search for the most efficient sensing nanomaterials. Adsorption of C<sub>3</sub>H<sub>2</sub>F<sub>6</sub>O molecule on the pristine and Cr/Cu modified WS<sub>2</sub> nanosheets was studied using the density functional theory calculations. Desflurane was adsorbed from both oxygen and Fluorine active sites after the adsorption structures were fully optimized. The relaxed configurations were utilized for calculating geometrical and electronic properties such as adsorption energies, projected density of states and band structures. The negative adsorption energies indicated the stable adsorption of desflurane on the Cr and Cu modified WS<sub>2</sub> nanosheets. The results also indicated that desflurane adsorption did not change the electronic properties of Cr and Cu modified WS<sub>2</sub> considerably, except for some changes in the band gap interval. Based on spin-polarized calculations, both Cr and Cu modified WS<sub>2</sub> monolayers magnetic and semiconducting properties. These findings suggested that Cr and Cu modified WS<sub>2</sub> nanostructures are brilliant candidates for sensing C<sub>3</sub>H<sub>2</sub>F<sub>6</sub>O molecules.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142778508","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Methane upgrading on pelletised Maxsorb activated carbon by gas-phase simulated moving bed 气相模拟移动床对颗粒状Maxsorb活性炭甲烷的处理研究

IF 3 4区工程技术

Adsorption Pub Date : 2024-12-04 DOI: 10.1007/s10450-024-00563-7

Rafael O. M. Dias, Maria J. Regufe, Ana A. Pereira, Alexandre F. P. Ferreira, Alírio E. Rodrigues, Ana M. Ribeiro

{"title":"Methane upgrading on pelletised Maxsorb activated carbon by gas-phase simulated moving bed","authors":"Rafael O. M. Dias, Maria J. Regufe, Ana A. Pereira, Alexandre F. P. Ferreira, Alírio E. Rodrigues, Ana M. Ribeiro","doi":"10.1007/s10450-024-00563-7","DOIUrl":"10.1007/s10450-024-00563-7","url":null,"abstract":"<div><p>To study the separation of methane and nitrogen mixtures by gas-phase simulated moving bed (SMB), Maxsorb activated carbon was pelletised by extrusion with 10% binder. Both argon and carbon dioxide were used as potential desorbent gases. The effectiveness of the adsorbent was assessed by analysing the adsorption equilibrium data and conducting fixed-bed experiments to determine the single and multicomponent dynamic adsorption behaviour. Pure component N<sub>2</sub>, CH<sub>4</sub>, Ar, and CO<sub>2</sub> isotherms were measured at three different temperatures, up to 2.5 bar, using a volumetric method. The results show that CO<sub>2</sub> exhibits the highest affinity to the solid phase, followed by CH<sub>4</sub>, N<sub>2,</sub> and Ar. Single, binary, and ternary fixed-bed experiments were performed, allowing the validation of the proposed mathematical model. Two SMB cycles were designed to separate a CH<sub>4</sub>/N<sub>2</sub> mixture using each desorbent gas. The respective separation regions were drawn. Both processes achieved a high purity level for the methane stream (above 99%) and exhibited high recovery (above 97%). The obtained results were crossed with the previously studied BPL material, and the Maxsorb adsorbent showed better performance overall.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10450-024-00563-7.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142778245","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

One-pot synthesis of zinc titanate nanocomposites with dual adsorption and photocatalytic capabilities for wastewater treatment 一锅法合成具有双吸附光催化性能的钛酸锌纳米复合材料

IF 3 4区工程技术

Adsorption Pub Date : 2024-12-04 DOI: 10.1007/s10450-024-00571-7

Derya Kapusuz Yavuz, Omer Eyercioglu, Dima Babi

{"title":"One-pot synthesis of zinc titanate nanocomposites with dual adsorption and photocatalytic capabilities for wastewater treatment","authors":"Derya Kapusuz Yavuz, Omer Eyercioglu, Dima Babi","doi":"10.1007/s10450-024-00571-7","DOIUrl":"10.1007/s10450-024-00571-7","url":null,"abstract":"<div><p>The efficient elimination of synthetic dyes from industrial wastewaters continues to be a significant environmental issue. This paper describes one-pot synthesis of zinc titanate nanocomposites exhibiting dual adsorption and photocatalytic properties, achieved using precipitation/calcination and solvothermal techniques from a common precursor solution. Methylene blue (MB), a frequently utilized cationic dye, was chosen as the model contaminant. The zinc titanate composites exhibited significant adsorption capabilities; consistently attaining > 4 mg of MB adsorbed per gram of material for all Zn/Ti ratios within the initial 30 min in the absence of UV light exposure. Composites having a Zn/Ti ratio of 0.5 exhibited superior performance, with Z-0.5c attaining the maximum photocatalytic degradation under UV illumination. Phase analysis indicated that calcination resulted in increased crystallinity, which was associated with improved photocatalytic activity, while solvothermally generated samples preserved nanoscale morphologies that facilitated adsorption. The results underscore the efficacy ofzinc titanate nanocomposites as dual-function materials for wastewater treatment, facilitating fast adsorption and prolonged photocatalytic degradation to enhance dye elimination. This study offers significant insights into the optimization of Zn/Ti ratios and synthesis techniques for improved environmental applications.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142778248","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Theoretical investigation of the interaction between acrolein (C3H4O) molecule and novel TiAl3-doped MoS2 nanosheets 丙烯醛（C3H4O）分子与新型tial3掺杂MoS2纳米片相互作用的理论研究

IF 3 4区工程技术

Adsorption Pub Date : 2024-12-04 DOI: 10.1007/s10450-024-00556-6

Farag M. A. Altalbawy, Mohammed Ayad Alboreadi, Soumya V. Menon, Anjan Kumar, Bharti Kumari, Rajni Verma, G. V. Siva Prasad, Zainab Ahmed Hamodi, Hussein Ghafel Shakie, Ahmed Naser Faisal, Muthna kereem

{"title":"Theoretical investigation of the interaction between acrolein (C3H4O) molecule and novel TiAl3-doped MoS2 nanosheets","authors":"Farag M. A. Altalbawy, Mohammed Ayad Alboreadi, Soumya V. Menon, Anjan Kumar, Bharti Kumari, Rajni Verma, G. V. Siva Prasad, Zainab Ahmed Hamodi, Hussein Ghafel Shakie, Ahmed Naser Faisal, Muthna kereem","doi":"10.1007/s10450-024-00556-6","DOIUrl":"10.1007/s10450-024-00556-6","url":null,"abstract":"<div><p>In the present study, the capability of Al, Si, P doped and novel TiAl<sub>3</sub> decorated MoS<sub>2</sub> nanosheet for sensing and adsorption of the acrolein molecule has been scrutinized through the periodic density functional theory. The changes in the energy gap after trapping acrolein molecule can be regarded as a positive factor for analyzing the electrical response of the sensor material. The adsorption energies on the doped MoS<sub>2</sub> nanosheets are higher than those on the pure nanosheets, indicating the principal influence of doping on the adsorption efficiency of substrate. Among the Al, Si and P doped MoS<sub>2</sub> systems, the highest value of adsorption energy (-0.92 eV) was observed for the Si-doped nanosheet. Also, the TiAl<sub>3</sub> decorated MoS<sub>2</sub> nanosheet exhibits a very strong adsorption effect on the acrolein molecule with considerable energy of -3.76 eV. The charge density differences for the interaction of acrolein with doped MoS<sub>2</sub> substrates were analyzed to search for the changes occurred at the adsorption region. Based on the obtained results, we can propose the TiAl<sub>3</sub> decorated MoS<sub>2</sub> substrates as potential sensors of acrolein molecules.</p></div>","PeriodicalId":458,"journal":{"name":"Adsorption","volume":"31 1","pages":""},"PeriodicalIF":3.0,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142778249","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Adsorptive removal of 2,4-dichlorophenol from aqueous solution using micronized oil shale 油页岩微粉吸附去除水中2,4-二氯苯酚

IF 3 4区工程技术

Adsorption Pub Date : 2024-12-04 DOI: 10.1007/s10450-024-00570-8

Renáta Rauch, Éva Lukács, Miklós Molnár

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