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Hierarchical porous carbon derived from Monoon longifolium seeds as high-performance supercapacitor electrodes 单叶草种子制备的分级多孔碳作为高性能超级电容器电极
IF 6.2 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-05-08 DOI: 10.1007/s42823-026-01079-6
Ariharan Arjunan, Sivaprakasam Radhakrishnan, Sung-Kon Kim

Electrochemical capacitors predominantly rely on porous carbon materials with high specific surface areas; however, precise control over pore size distribution remains a critical challenge in optimizing electrode performance. In this study, we present a two-step activation strategy for fabricating hierarchical porous carbon derived from Monoon longifolium seed biomass (HPC-MS), which enables systematic tuning of the pore architecture. The optimized carbon material demonstrated a high specific surface area of 898 m² g⁻¹ with well-developed hierarchical porosity. When evaluated in a two-electrode symmetric configuration, the HPC-MS electrode delivered an impressive specific capacitance of 368 F g⁻¹ at a current density of 1 A g⁻¹, along with outstanding cycling stability, retaining 97.2% of its capacitance after 5000 charge–discharge cycles. These results demonstrate the potential of waste biomass as a sustainable carbon source and provide a promising pathway for developing high-performance supercapacitors through rational pore structure engineering.

Graphical abstract

The synthesis of the hierarchical porous carbon derived from Monoon longifolium seed (HPC-MS) biomass involves a two-step process comprising chemical activation and carbonization. The activation step promotes the development of a hierarchical pore network featuring interconnected micropores, mesopores, and macropores. This multiscale architecture facilitates efficient ion transport, enhances electrolyte accessibility, and significantly improves the electrochemical performance of the resulting electrode material for high-performance supercapacitor.

电化学电容器主要依靠具有高比表面积的多孔碳材料;然而,精确控制孔径分布仍然是优化电极性能的关键挑战。在这项研究中,我们提出了一种两步活化策略,用于制备来自长叶单叶植物种子生物量的分层多孔碳(HPC-MS),该策略可以系统地调整孔隙结构。优化后的碳材料具有898 m²g⁻¹的高比表面积,并具有发达的分层孔隙度。当在双电极对称配置中进行评估时,HPC-MS电极在电流密度为1 a g⁻¹时提供了令人印象深刻的368 F g⁻¹的比电容,并且具有出色的循环稳定性,在5000次充放电循环后保持了97.2%的电容。这些结果证明了废弃生物质作为可持续碳源的潜力,并为通过合理的孔隙结构工程开发高性能超级电容器提供了一条有希望的途径。摘要以长叶单叶种子(HPC-MS)为原料,通过化学活化和炭化两步合成了层次化多孔碳。活化步骤促进了微孔、中孔和大孔相互连接的分层孔隙网络的发展。这种多尺度结构促进了离子的高效传输,提高了电解质的可及性,并显著提高了高性能超级电容器电极材料的电化学性能。
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引用次数: 0
Thermal exfoliation-deposition method for morphology-controlled fabrication of 2D-g-C3N4/CuO heterojunctions: efficient photocatalytic degradation of carbendazim and methylene blue 热剥落-沉积法制备2D-g-C3N4/CuO异质结:多菌灵和亚甲基蓝的高效光催化降解
IF 5.8 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-05-06 DOI: 10.1007/s42823-026-01070-1
Pandian Lakshmanan, Cheol Hwan Kwak, Vaidhyanathan Lavanya, Balamurugan Sumithra, Jae-Seung Roh, Vadivel Saravanan, Nallasamy Palanisami, Seung Kyu Hwang

A facile and scalable thermal exfoliation–deposition method was developed to synthesize 2D g-C3N4/CuO heterojunction photocatalysts with controlled morphology. By tuning the g-C3N4 loading, the carbon nitride morphology transitions from dispersed two-dimensional (2D) nanosheets to bulk-like three-dimensional (3D) structures, which significantly influences the optical properties and photocatalytic performance of the composites. The photocatalysts were evaluated under solar irradiation for the degradation of carbendazim (CBZ) and methylene blue (MB). The g-C3N4/CuO composites exhibited significantly enhanced photocatalytic activity compared to individual g-C3N4 and CuO, due to efficient charge separation at the heterojunction. Optimal photocatalytic performance was achieved at 15% g-C3N4 loading, achieving up to 98% degradation of CBZ and MB within 80 min. Radical scavenging experiments identified superoxide radicals (O2•⁻) as the primary reactive species. The 15% g-C3N4/CuO composite also showed excellent stability over multiple cycles. These results highligh the importance of interfacial engineering and compositional optimization for efficient, durable, and scalable solar-driven photocatalysts.

Graphical abstract

The alternative text for this image may have been generated using AI.
建立了一种简单、可扩展的热剥离沉积方法,合成了具有可控形貌的二维g-C3N4/CuO异质结光催化剂。通过调整g-C3N4的负载,氮化碳的形貌从分散的二维(2D)纳米片转变为块状三维(3D)结构,这显著影响了复合材料的光学性能和光催化性能。在太阳照射下考察了光催化剂对多菌灵(CBZ)和亚甲基蓝(MB)的降解效果。与单独的g-C3N4和CuO相比,g-C3N4/CuO复合材料表现出显著增强的光催化活性,这是由于异质结处有效的电荷分离。在15%的g-C3N4负载下,达到最佳的光催化性能,在80 min内实现高达98%的CBZ和MB的降解。自由基清除实验确定超氧自由基(O2•毒血症)是主要的反应物质。15% g-C3N4/CuO复合材料在多次循环中也表现出优异的稳定性。这些结果强调了界面工程和成分优化对于高效、耐用和可扩展的太阳能驱动光催化剂的重要性。图形抽象此图像的替代文本可能是使用AI生成的。
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引用次数: 0
Urea-assisted N-type conversion of laser-induced graphene for thermoelectric applications 热电应用中激光诱导石墨烯的尿素辅助n型转换
IF 5.8 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-05-05 DOI: 10.1007/s42823-026-01071-0
Vala Can Aşkan, Seda Kol, Nihan Aydemir, Ahmet Yavuz Oral

Thermoelectric materials enable direct heat-to-electricity conversion. They have gained increasing interest in sustainable and wearable energy-harvesting systems. However, progress in flexible thermoelectric devices remains limited by the shortage of high-performance n-type organic materials, hindering the development of efficient p–n complementary modules. Laser-induced graphene (LIG) has attracted considerable attention for thermoelectric applications due to its high electrical conductivity, scalable fabrication, and compatibility with flexible substrates. However, LIG produced from polyimide typically exhibits p-type behavior, which limits its applicability in thermoelectric modules requiring complementary n-type materials. In this study, we address this limitation by introducing a simple and scalable urea-assisted strategy to convert p-type LIG into n-type LIG through nitrogen doping during the laser-induced graphitization process. First, we have fabricated LIG by direct laser writing on polyimide and subsequently treated with 5 and 10 wt% urea solutions, followed by mild annealing. Subsequent structural and chemical characterizations confirmed effective nitrogen incorporation, dominated by graphitic-N species, while preserving the porous 3D LIG network. Thermoelectric measurements revealed enhanced electrical conductivity (up to 1120 S/m) and a clear p-to-n transition, as evidenced by negative Seebeck coefficients in urea-treated films. The optimized LIG-10 N sample delivered the highest thermoelectric performance, reaching a power factor of 0.136 µW m⁻¹ K⁻² at 60 °C. Overall, this work provides a practical route for engineering n-type LIG, supporting the development of flexible thermoelectric modules for wearable and low-power energy-harvesting applications.

Graphical Abstract

The alternative text for this image may have been generated using AI.
热电材料可以实现直接的热-电转换。他们对可持续和可穿戴的能量收集系统越来越感兴趣。然而,由于缺乏高性能n型有机材料,柔性热电器件的进展仍然受到限制,阻碍了高效p-n互补模块的发展。激光诱导石墨烯(LIG)由于其高导电性、可扩展制造和与柔性衬底的兼容性,在热电应用中引起了相当大的关注。然而,由聚酰亚胺制成的LIG通常表现为p型行为,这限制了其在需要补充n型材料的热电模块中的适用性。在本研究中,我们通过引入一种简单且可扩展的尿素辅助策略,在激光诱导石墨化过程中通过氮掺杂将p型LIG转化为n型LIG,从而解决了这一限制。首先,我们在聚酰亚胺上直接激光刻写制备LIG,然后用5%和10%的尿素溶液处理,然后进行温和退火。随后的结构和化学表征证实了氮的有效结合,主要是石墨氮,同时保留了多孔的3D LIG网络。热电测量结果显示,经尿素处理的薄膜的导电性增强(高达1120 S/m), p-to-n转变明显,Seebeck系数为负。优化后的lig10 - N样品具有最高的热电性能,在60°C时达到0.136µW m(⁻¹K⁻²)的功率因数。总的来说,这项工作为工程n型LIG提供了一条实用的途径,支持可穿戴和低功耗能量收集应用的柔性热电模块的开发。此图像的替代文本可能是使用AI生成的。
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引用次数: 0
Improving the performance of perovskite solar cells by incorporating NiO/rGO nanocomposite into CH3NH3PbI3 在CH3NH3PbI3中掺入NiO/rGO纳米复合材料提高钙钛矿太阳能电池性能
IF 5.8 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-05-05 DOI: 10.1007/s42823-026-01062-1
V. Arjun, K.P. Muthukumaran, A. Nithya, M. Yoshimura, P. Manikandan, S. Karuppuchamy

NiO/rGO nanocomposites have been synthesized by the hydrothermal method. The various amounts of prepared NiO/rGO nanocomposite were incorporated with perovskite material for fabricating the perovskite solar cells (PSCs). The structure of NiO/rGO-CH3NH3PbI3 based PSC is FTO/c-TiO2/m-TiO2/NiO/rGO-CH3NH3PbI3/Carbon. The present NiO/rGO-CH3NH3PbI3 based PSC obtained a power conversion efficiency (PCE) of 15.27 % with a short circuit current (Jsc) of 23.90 mA/cm2, an open circuit voltage (Voc) of 0.94 V and a fill factor (FF) of 0.68. In contrast, the pristine CH₃NH₃PbI₃-based PSC exhibited a PCE of only 8.57 %. The incorporation of NiO/rGO enhanced the charge recombination resistance and improved the interfacial contact, which remarkably facilitated the charge separation, charge transfer and charge collection and effectively suppressed the charge recombination in the PSCs. NiO/rGO-CH3NH3PbI3 based PSCs preserved 93.27 % of their initial PCE after 600 h, which endorses that the stability of the CH3NH3PbI3 layer is secured from moisture by the incorporation of NiO/rGO nanocomposite. The obtained power conversion efficiency and stability of NiO/rGO-CH3NH3PbI3 based PSCs is higher than that of the pristine CH3NH3PbI3 based PSC. The current work clearly demonstrates that the incorporation of NiO/rGO nanocomposite improves the performance and stability of PSCs, simplifies the device fabrication process and reduces the fabrication cost.

Graphical Abstract

The alternative text for this image may have been generated using AI.
采用水热法制备了NiO/rGO纳米复合材料。将制备的不同量的NiO/rGO纳米复合材料与钙钛矿材料结合制备钙钛矿太阳能电池(PSCs)。基于NiO/rGO-CH3NH3PbI3的PSC结构为FTO/c-TiO2/m-TiO2/NiO/rGO-CH3NH3PbI3/Carbon。基于NiO/rGO-CH3NH3PbI3的PSC在短路电流(Jsc)为23.90 mA/cm2,开路电压(Voc)为0.94 V,填充因子(FF)为0.68的情况下,功率转换效率(PCE)为15.27%。相比之下,基于CH₃NH₃PbI₃的原始PSC的PCE仅为8.57%。NiO/rGO的掺入增强了电荷复合电阻,改善了界面接触,显著促进了电荷分离、电荷转移和电荷收集,有效抑制了PSCs中的电荷复合。经过600 h后,NiO/rGO-CH3NH3PbI3纳米复合材料的PCE保持率为初始PCE的93.27%,表明NiO/rGO纳米复合材料的加入保证了CH3NH3PbI3层的稳定性。所得的NiO/rGO-CH3NH3PbI3基PSC的功率转换效率和稳定性均高于原始的CH3NH3PbI3基PSC。目前的研究清楚地表明,NiO/rGO纳米复合材料的加入提高了psc的性能和稳定性,简化了器件的制造过程,降低了制造成本。此图像的替代文本可能是使用AI生成的。
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引用次数: 0
Iron-nickel-based catalyst as efficient electrocatalyst for hydrogen evolution reaction 铁镍基催化剂作为析氢反应的高效电催化剂
IF 6.2 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-05-04 DOI: 10.1007/s42823-026-01074-x
Shasha Zhu, Fei Chen, Ling Liu, Tianhan Huang, Yan Pan, Haoyu Wang, Lei Liu, Qing Wang, Zhaoyang Li, Yuxiang Fei, Feihong Wang, Tianming Chen, Ye Yuan, Qingyuan Guo, Cheng Ding

In this work, the novel FeNi-LDH/NF and (Fe-Ni)Ox/NF were prepared using facile hydrothermal and calcination methods. The electrocatalyst FeNi-LDH/NF ((Fe-Ni)Ox/NF) exhibits excellent HER catalytic activity, and produced an overpotential of 147 (210) mV at 10 mA cm−2 with a small Tafel value of 97 (100) mV dec−1 in 1.0 M KOH electrolyte. Due to the high-density active centers exposed on the surface of FeNi-based hydroxides, their electrical conductivity, and the synergistic effect between the metals, the catalytic activity of FeNi-based hydroxides is superior to that of FeNi-based oxides. The overall experimental findings showcase a feasible approach for exploring the potential of the nonprecious metal-based FeNi-LDH/NF ((Fe-Ni)Ox/NF) nanoelectrocatalyst towards alkaline HER.

Graphical abstract

本文采用水热法和煅烧法制备了新型FeNi-LDH/NF和(Fe-Ni)Ox/NF。电催化剂FeNi-LDH/NF (Fe-Ni)Ox/NF)表现出优异的HER催化活性,在10 mA cm−2下产生147 (210)mV的过电位,在1.0 M KOH电解质下产生97 (100)mV dec−1的过电位。由于feni基氢氧化物表面暴露的高密度活性中心、其导电性以及金属间的协同作用,使得feni基氢氧化物的催化活性优于feni基氧化物。整体实验结果为探索非贵金属基FeNi-LDH/NF ((Fe-Ni)Ox/NF)纳米电催化剂在碱性HER中的潜力提供了一种可行的方法。图形抽象
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引用次数: 0
Leveraging petroleum-derived carbon for atmospheric water harvesting 利用石油衍生的碳来收集大气中的水
IF 6.2 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-05-04 DOI: 10.1007/s42823-026-01072-z
Wala Algozeeb, Ahmed Owais, Qasim Saleem, Noha Al-Shihri, Emad Al-Shafie, Hendrik Muller, Nadrah Alawani, Abdulkarim Makki, Hasan Al-Tarouti, Amer Al Tuwailib, Ahmed AlAsseel, Ibrahim Al-Zahrani

The growing global water crisis necessitates innovative solutions that are both cost-effective and environmentally sustainable. Atmospheric water harvesting (AWH) has emerged as a promising avenue of research to address this pressing challenge. Here, we present a novel approach that re-purposes low-value petroleum feedstocks for AWH through their conversion to porous carbon (PC). Utilizing a potassium carbonate-assisted carbonization process, we develop PC from heavy and light cycle oils, and vacuum residue. While all sources yield materials with near superhydrophilic surfaces, only the cycle oils produce PC with high surface area and micoporous architectures. These engineered carbons demonstrate great water adsorption capacities of up to 23 wt% at 60% relative humidity (RH), surpassing commercially available carbon materials.

日益严重的全球水危机需要既具有成本效益又具有环境可持续性的创新解决方案。大气集水(AWH)已成为解决这一紧迫挑战的一个有前途的研究途径。在这里,我们提出了一种新方法,通过将低价值石油原料转化为多孔碳(PC),将其重新用于AWH。利用碳酸钾辅助碳化工艺,从重、轻循环油和真空渣油中制备PC。虽然所有来源的材料都具有接近超亲水性的表面,但只有循环油才能产生具有高表面积和微孔结构的PC。这些工程碳在60%的相对湿度(RH)下具有高达23%的水吸附能力,超过了市售碳材料。
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引用次数: 0
Correction: Efficient covalent functionalization of multi-walled carbon nanotubes in a flow reactor 更正:多壁碳纳米管在流动反应器中的高效共价功能化
IF 6.2 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-05-04 DOI: 10.1007/s42823-026-01077-8
Taehoon Kang, Chae Yeon Park, Wonho Cho, Seungjun Lee, Byung Hwa Seo, Ye-Jin Hwang
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引用次数: 0
Synergistic optimization of strength–conductivity balance in CNTs/Cu composites via powder morphology pre-regulation and two-stage ball milling 通过粉末形态预调控和两段球磨协同优化CNTs/Cu复合材料的强度-电导率平衡
IF 6.2 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-05-04 DOI: 10.1007/s42823-026-01075-w
Wei Liu, Chao Lei, Yunna Zhang, Zhenlin Lu, Hui Xie, Lei Jia

Achieving a superior combination of strength and electrical conductivity in carbon nanotubes (CNTs) reinforced Cu matrix composites remains a significant challenge, primarily due to CNTs agglomeration and poor interfacial bonding. This study introduces a systematic integrated processing route combining Cu powder morphology control with a two-stage ball milling process. By rationally integrating validated powder processing steps and optimizing key process parameters, we directly address the long-standing strength–conductivity trade-off in CNTs/Cu composites. Dendritic Cu powder was first transformed into flake-shaped particles via pre-ball milling, increasing its specific surface area to enhance subsequent CNTs adhesion. A secondary ball milling step was applied to the CNTs/Cu flake mixture, effectively embedding CNTs into the matrix. Compared to composites prepared using dendritic or flake-shaped Cu powder alone, the composite subjected to the two-stage ball milling process exhibited a more homogeneous CNTs dispersion, reduced agglomeration, and enhanced interfacial bonding. Consequently, this optimized composite demonstrated a superior balance of tensile strength and electrical conductivity, offering a scalable pathway for fabricating high-performance CNTs/Cu composites.

在碳纳米管(CNTs)增强的铜基复合材料中实现强度和导电性的卓越结合仍然是一个重大挑战,主要是由于碳纳米管团聚和界面结合不良。介绍了一种将铜粉形貌控制与两段球磨工艺相结合的系统集成工艺路线。通过合理整合经过验证的粉末加工步骤并优化关键工艺参数,我们直接解决了CNTs/Cu复合材料中长期存在的强度与导电性权衡问题。枝晶铜粉首先通过预球磨转化为片状颗粒,增加其比表面积,增强后续CNTs的粘附性。对CNTs/Cu薄片混合物进行二次球磨,有效地将CNTs嵌入基体中。与单独使用枝晶或片状铜粉制备的复合材料相比,经过两段球磨工艺制备的复合材料具有更均匀的CNTs分散,减少团聚,增强界面结合。因此,这种优化的复合材料在抗拉强度和导电性方面表现出优异的平衡,为制造高性能CNTs/Cu复合材料提供了可扩展的途径。
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引用次数: 0
Effects of nitrogen functional groups and pore structure on high-affinity dye adsorption by plasma-treated activated carbon pellets 氮官能团和孔结构对等离子体处理活性炭颗粒高亲和性染料吸附的影响
IF 5.8 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-04-21 DOI: 10.1007/s42823-026-01069-8
Min Seong Han, Woong Kwon, Youngbin Baek, Euigyung Jeong, Byong Chol Bai

Expanding dye use elevates ecological risks by increasing dye-contaminated wastewater discharge. Cationic dyes resist removal owing to high stability and toxicity, but activated carbon adsorption remains an efficient and economical treatment. In this study, we examine methylene blue (MB) removal using activated carbon prepared from petroleum pitch through KOH activation, followed by nitrogen plasma treatment for 5, 10, 15, and 30 min. To characterize the surface chemistry and porosity of the nitrogen-functionalized carbon, we employed elemental analysis (EA), X-ray photoelectron spectroscopy (XPS), and N2 adsorption–desorption (Brunauer-Emmett-Teller, BET) measurements. Batch adsorption tests were conducted at MB concentrations of 100, 200, 300, 400, and 500 mg L⁻¹. The nitrogen plasma treatment increased the surface nitrogen content (from 0.44% to 1.94% depending on the treatment conditions) and enhanced MB adsorption performance. Equilibrium data were fitted using the Langmuir and Freundlich isotherm models; the Freundlich model showed a better correlation, indicating multilayer adsorption on a heterogeneous surface and suggesting that plasma-introduced nitrogen sites provided additional adsorption sites.

扩大染料的使用增加了受染料污染的废水排放,从而加剧了生态风险。阳离子染料因其高稳定性和高毒性而难以去除,但活性炭吸附仍然是一种有效且经济的处理方法。在这项研究中,我们通过KOH活化从石油沥青中制备活性炭,然后进行5、10、15和30分钟的氮等离子体处理,研究了活性炭对亚甲基蓝(MB)的去除效果。为了表征氮官能化碳的表面化学性质和孔隙度,我们采用元素分析(EA)、x射线光电子能谱(XPS)和N2吸附-解吸(Brunauer-Emmett-Teller, BET)测量。在MB浓度为100mg、200mg、300mg、400mg和500mg L - 1时进行了批量吸附试验。氮等离子体处理提高了表面氮含量(根据处理条件从0.44%提高到1.94%),增强了吸附MB的性能。平衡数据采用Langmuir和Freundlich等温线模型拟合;Freundlich模型显示了更好的相关性,表明在非均质表面上有多层吸附,并且表明等离子体引入的氮位点提供了额外的吸附位点。
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引用次数: 0
A combined experimental and molecular modelling study on fixed bed adsorption of carbon dioxide over activated carbon 固定床活性炭吸附二氧化碳的实验与分子模拟相结合研究
IF 5.8 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-04-21 DOI: 10.1007/s42823-026-01068-9
Mohammed K. Al Mesfer, Mohd Danish, Khursheed B. Ansari, Quang Thang Trinh, Mumtaj Shah

The present work demonstrates a comprehensive experimental and molecular modeling study of fixed bed adsorption of CO2 over commercial activated carbon (AC-RBAA-3). The AC-RBAA-3 was characterized using Brunauer-Emmett-Teller (BET) surface area analyzer, Scanning Electron Microscope (SEM), and Raman analyses. The lower temperature (or 298 K) remained best for CO2 capture over AC-RBAA-3 and allowed robust adsorption up to 1140 s compared to the higher temperatures (328 K; 878 s). The breakthrough profile of CO2 decreased with increasing feed gas flow rate because of lower residence time, especially at higher flow rates. Interestingly, the lower initial CO2 concentration showed a better breakthrough profile compared to the higher one. The maximum CO2 uptake of 1.18 mmol/g was accomplished at 298 K with a flow feed rate of 5 L/min and Cin=5%. The minimal length of mass transfer zone (LMTZ) nearly equal to 1.77 cm was determined with an improved capacity utilization factor (i.e., 0.965 at 298 K). The maximum usable bed height was 23.39 cm, with an improved efficiency of 93.57%. Additionally, the experimental results were verified by Density Functional Theory (DFT) calculations, describing that CO2 adsorbed weakly on perfect graphite surfaces, CO2 adsorbed weakly mainly via van der Waals interaction, with the binding energy of -21.5 kJ/mol, while the adsorption energy of CO2 in the pores of graphite is exothermic. However, at the amorphous site of the activated carbon, CO2 adsorbed more strongly with the energy of -41.5 kJ/mol, suggesting that this should be considered for further enhancement in the CO2 adsorption efficiency of activated carbon. Charge density plots revealed that the charge transfer between CO2 and the amorphous carbon sites was the factor contributing to the enhanced affinity of CO2 on activated carbon, justifying its effectiveness in capturing CO2 obtained in our experiments.

Graphical Abstract

The alternative text for this image may have been generated using AI.
本研究对商用活性炭(AC-RBAA-3)固定床吸附CO2进行了全面的实验和分子模拟研究。采用布鲁诺尔-埃米特-泰勒(BET)表面积分析仪、扫描电镜(SEM)和拉曼分析对AC-RBAA-3进行了表征。较低温度(或298 K)对AC-RBAA-3的CO2捕获效果最好,与较高温度(328 K; 878 s)相比,其吸附时间长达1140 s。随着进料气流量的增加,CO2的突破剖面随着停留时间的缩短而减小,特别是在高流量时。有趣的是,较低的初始CO2浓度比较高的初始CO2浓度表现出更好的突破剖面。在298 K、5 L/min的流速和5%的浓度条件下,CO2吸收量最大,达到1.18 mmol/g。最小传质区长度(LMTZ)接近1.77 cm,容量利用系数(即在298 K时为0.965)有所提高。最大有效层高为23.39 cm,效率提高93.57%。另外,通过密度泛函数理论(DFT)计算验证了实验结果,说明CO2在完美石墨表面的弱吸附,主要通过范德华相互作用进行弱吸附,结合能为-21.5 kJ/mol,而CO2在石墨孔隙中的吸附能为放热吸附。而在活性炭的非晶态位置,CO2吸附更强,能量为-41.5 kJ/mol,这表明进一步提高活性炭的CO2吸附效率需要考虑这一点。电荷密度图显示CO2和非晶碳位点之间的电荷转移是促进CO2对活性炭亲和力增强的因素,证明了其在我们实验中获得的CO2捕获效果。此图像的替代文本可能是使用AI生成的。
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引用次数: 0
期刊
Carbon Letters
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