Carbon Trends最新文献_第5页

Effect of artificial aging on physicochemical properties of bone char and adsorption properties of Cd2+

IF 3.1 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Carbon Trends

Pub Date : 2024-12-01 DOI: 10.1016/j.cartre.2024.100441

Linchao Hu, Jinbao Wan, Kaixin Tang, Haoran Yu, Tao Huang, Dongyuan Fan, Wenyi Zhang, Linqiang Mao

Biochar is a good adsorbent and has been widely used to repair heavy metal soils. However, aging will affect the physical and chemical properties of biochar, and then affect its adsorption performance on heavy metals. This study explored the impact of aging on the adsorption performance of biochar derived from bovine bone char, prepared at 350 °C and 550 °C through oxygen-limited carbonization. The bone chars were simulated aging by H₂O₂ and Na₂S₂O₈, with Cd²⁺ as the target ions for adsorption. This study examined the effect on the physical and chemical properties of bone char prepared by different aging degrees, assessing its adsorption efficiency for Cd. The results showed that the oxidative aging led to a rough surface and increased Cd adsorption. The surface of bone char was smooth and bar like without obvious granular matter after acidification aging, inhibiting Cd adsorption. In addition, Oxidation aging increased the surface complexation of bone char and decreased ion exchange. The coprecipitation of bone char and the cationic Caution-π action were seriously inhibited by acidification aging. The findings of this study provide valuable insights and promising applications for the use of animal bones as a strategy for the remediation of Cd²⁺ pollution.

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引用次数: 0

Phonon transports in single-walled carbon nanotube films with different structures determined by tensile tests and thermal conductivity measurements

IF 3.1 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Carbon Trends

Pub Date : 2024-12-01 DOI: 10.1016/j.cartre.2024.100435

Hisatoshi Yamamoto , Yutaro Okano , Keisuke Uchida , Makoto Kageshima , Toru Kuzumaki , Shugo Miyake , Masayuki Takashiri

The phonon transport properties of single-walled carbon nanotubes (SWCNTs) undergo significant changes when shaped into individuals, bundles, or films. Among these, SWCNT films are the most useful for industrial applications; however, their phonon transport properties have not been thoroughly investigated. This study estimated the phonon transport properties—specifically, the sound velocity, lattice thermal conductivity, and phonon mean free path (MFP)—of SWCNT films by conducting tensile tests and thermal conductivity measurements. The SWCNT films were prepared through vacuum filtering, with their structures modified by adjusting the ultrasonic dispersion amplitude during SWCNT ink production. The average sound velocity of the SWCNT films reached a maximum of 692 m/s at the lowest dispersion amplitude of 30 % (nominal value of 200 W), decreasing as the dispersion amplitude increased. The maximum values of lattice thermal conductivity and phonon MFP were 50.9 W/(m⋅K) and 119 nm, respectively, observed at dispersion amplitudes of 50 % and 90 %. These results arise from the complex interaction of factors such as defect density, mass density, SWCNT bundle diameter, and SWCNT length. This analytical method provides a straightforward approach to determine the detailed phonon transport properties of CNT films.

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引用次数: 0

EDITORIAL: Nanoscience in Ecuador: Fostering a Thriving Research Culture

IF 3.1 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Carbon Trends

Pub Date : 2024-12-01 DOI: 10.1016/j.cartre.2024.100425

Paola Ayala , Vincent Meunier

引用次数: 0

Material extrusion of topologically engineered architecture inspired by carbon-based interlocked petal-schwarzites 受碳基互锁花瓣石启发的拓扑工程结构的材料挤压工艺

IF 3.1 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Carbon Trends

Pub Date : 2024-11-19 DOI: 10.1016/j.cartre.2024.100431

Rushikesh S. Ambekar , Leonardo V. Bastos , Douglas S. Galvao , Chandra S. Tiwary , Cristiano F. Woellner

Exploiting the topologically engineered complex Schwarzite architecture has allowed the creation of innovative and distinctive structural elements possessing high specific strength. These fundamental building blocks' mechanical characteristics can be fine-tuned by reinforcing them with more robust architectures featuring high surface areas. In this work, we have fabricated six distinct Schwarzite-based structures composed of multiple interlocked layers, termed architecturally interlocked petal-schwarzites. These intricate structures have been additively manufactured into macroscopic dimensions and subjected to uniaxial compression. Experimental findings reveal a correlation between the mechanical response and the number of layers. Additionally, fully atomistic molecular dynamics compressive simulations have been carried out, yielding results that are in good agreement with the experimental observations. These simulations provide insights into the underlying mechanism of high specific strength and energy absorption exhibited by architecturally interlocked petal-schwarzites. The proposed methodology introduces a new perspective on the development of engineered additively manufactured materials with tunable and enhanced mechanical properties.

利用拓扑工程复杂的施瓦兹石结构，可以创造出具有高比强度的创新型独特结构元素。这些基本构件的机械特性可以通过用具有高比表面积的更坚固结构对其进行加固来进行微调。在这项工作中，我们制造了六种不同的基于施瓦茨石的结构，这些结构由多个互锁层组成，被称为架构互锁花瓣施瓦茨石。这些错综复杂的结构是用添加剂制造的，具有宏观尺寸，并受到单轴压缩。实验结果表明，机械响应与层数之间存在相关性。此外，还进行了全原子分子动力学压缩模拟，结果与实验观察结果十分吻合。这些模拟深入揭示了建筑互锁花瓣状华夏石所表现出的高比强度和高能量吸收的内在机制。所提出的方法为开发具有可调和增强机械性能的工程添加制造材料提供了新的视角。

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引用次数: 0

Mechanistic insight into the catalytic activities of metallic sites on nitrogen-doped graphene quantum dots for CO2 hydrogenation 氮掺杂石墨烯量子点上金属位点对二氧化碳加氢催化活性的机理研究

IF 3.1 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Carbon Trends

Pub Date : 2024-11-19 DOI: 10.1016/j.cartre.2024.100430

Armin Mahmoudi, Siyavash Kazemi Movahed, Hossein Farrokhpour

The origin of selectivity and activity of the CO₂ hydrogenation reaction on single-atom catalysts composed of three adjacent 3d transition metals (Fe, Co, and Ni) supported on N-doped graphene quantum dots were systematically investigated and compared using density functional theory (DFT) calculations, natural bond orbital (NBO), and quantum theory of atoms in molecules (QTAIM) analysis. This study reveals that π-backbonding between the metal and CO₂* does not occur and [CO₂]^δ+ species drive the reaction. The CO₂* reacts with H₂ via the Eley-Rideal (ER) mechanism by using the synergistic effects of the N site. The higher the partial positive charge on the C atom, the lower the Ea of the reaction. Subsequently, a tautomerization reaction, which is facilitated by hydrogen bonding, occurs and hydrogen is transferred to HCOO* resulting in the formation of CHOOH*. This study shows the selective formation of formic acid from CO₂ is accessible on these SACs and Fe-SAC is the best one between these three catalysts. Although CO₂ is more inert than formic acid the H₂ molecule reacts with the adsorbed formic acid more difficult than the adsorbed CO₂. It is because the hydrogenation of formic acid causes C-H bond formation resulting in failure of the coordinated O atom's octet and the unstable H₂COOH* is formed. This step is the rate-determining step of HOCH₂OH formation from CO₂, with Ea of 1.94, 2.03, and 2.23 eV for Fe, Co, and Ni, respectively. Finally, the system undergoes another tautomerization reaction resulting in the formation of HOCH₂OH (formaldehyde monohydrate).

利用密度泛函理论（DFT）计算、天然键轨道（NBO）和分子中原子量子理论（QTAIM）分析，系统地研究和比较了在掺杂 N 的石墨烯量子点上支撑的由三种相邻 3d 过渡金属（Fe、Co 和 Ni）组成的单原子催化剂上进行 CO2 加氢反应的选择性和活性的起源。研究发现，金属与 CO2* 之间不存在π键，[CO2]δ+ 物种驱动反应。利用 N 位点的协同效应，CO2* 通过 Eley-Rideal (ER) 机制与 H2 反应。C 原子上的部分正电荷越高，反应的 Ea 值就越低。随后，在氢键的促进下发生了同分异构反应，氢转移到 HCOO*，形成 CHOOH*。这项研究表明，在这些 SAC 上可以从 CO2 选择性地生成甲酸，而 Fe-SAC 是这三种催化剂中最好的一种。虽然 CO2 比甲酸更惰性，但 H2 分子与吸附的甲酸发生反应比与吸附的 CO2 发生反应更困难。这是因为甲酸的氢化作用会形成 C-H 键，导致配位 O 原子的八位失效，形成不稳定的 H2COOH*。这一步骤是 CO2 形成 HOCH2OH 的速率决定步骤，Fe、Co 和 Ni 的 Ea 分别为 1.94、2.03 和 2.23 eV。最后，系统会发生另一个同分异构反应，形成 HOCH2OH（甲醛一水合物）。

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引用次数: 0

Fe-based catalytic modification of a birch sawdust-based carbon structure: The effect of process parameters on the final product using an experimental design 桦木锯屑基碳结构的铁基催化改性：利用实验设计分析工艺参数对最终产品的影响

IF 3.1 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Carbon Trends

Pub Date : 2024-11-17 DOI: 10.1016/j.cartre.2024.100428

Henna Lempiäinen , Davide Bergna , Anne Heponiemi , Tao Hu , Glaydson S. dos Reis , Rafal Sliz , Ulla Lassi

Biomass waste-based, graphite-like material is an interesting alternative to fossil carbons in, for example, battery solutions. The aim was to produce carbon with a graphite-like structure from birch waste through catalytic modification with iron nitrate at relatively low temperatures. The study highlighted the effects of the Fe/birch mass ratio (0–20 mg Fe/g birch), heating temperature (750–900 °C), holding time (1–6 h), and heating rate (3–10 °C/min) on the carbon. The influence of each factor was demonstrated using a design of experiments (DoE) approach. Changes in yield, chemical composition, morphology, specific surface area, total pore volume, pore size distribution, particle size, tapped density, and conductivity were analyzed. The results showed that temperature affected the chemical content, yield, and conductivity. Iron-impregnation affected the structure of birch by modifying its total pore volume, tapped density, I_D/I_G value, and conductivity. The heating rate and holding time had relatively little effect. The highest conductivity (7.23 S/cm) was obtained when impregnated birch was pyrolyzed at the maximum temperature, holding time, and heating rate. However, the best graphitization result (I_D/I_G 0.98) was obtained when iron-impregnated birch was heated for 6 h at 750 °C at a heating rate of 3 °C/min.

以生物质废物为基础的类石墨材料是化石碳的一种有趣的替代品，例如在电池解决方案中。研究的目的是在相对较低的温度下，通过硝酸铁催化改性，从桦树废料中生产出具有类石墨结构的碳。该研究强调了铁/桦木质量比（0-20 毫克铁/克桦木）、加热温度（750-900 °C）、保温时间（1-6 小时）和加热速度（3-10 °C/分钟）对碳的影响。实验设计（DoE）方法证明了各因素的影响。分析了产量、化学成分、形态、比表面积、总孔体积、孔径分布、粒度、敲击密度和电导率的变化。结果表明，温度会影响化学成分、产量和导电率。铁浸渍通过改变桦木的总孔隙率、敲击密度、ID/IG 值和导电率来影响其结构。加热速率和保温时间的影响相对较小。在最高温度、保温时间和加热速率下热解浸渍过的桦木时，电导率最高（7.23 S/cm）。然而，当铁浸渍桦木在 750 °C 下以 3 °C/min 的加热速率加热 6 小时时，获得了最佳的石墨化效果（ID/IG 0.98）。

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引用次数: 0

Evaluation of morphological, structural, thermal, electrical, and chemical composition properties of graphene oxide, and reduced graphene oxide obtained by sequential reduction methods 评估氧化石墨烯以及通过顺序还原法获得的还原氧化石墨烯的形态、结构、热、电和化学成分特性

IF 3.1 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Carbon Trends

Pub Date : 2024-11-14 DOI: 10.1016/j.cartre.2024.100429

Hülya KAFTELEN-ODABAŞI

This study investigates the preparation and characterization of reduced graphene oxide (RGO) derived from graphene oxide (GO) using various reduction methods, including ethylene glycol (EG), hydrazine, ascorbic acid, thermal reduction, and their sequential combinations. Scanning Electron Microscopy (SEM), X-ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR), Thermogravimetric analysis (TGA), Raman spectroscopy, and X-ray Photoelectron Spectroscopy (XPS) were employed to analyze the morphological, structural, and thermal properties, as well as the composition and the functional groups of graphene oxide and its reduced forms. The highest electrical conductivity value of about 2500 S/m was obtained after the combined ascorbic acid-ethylene glycol-hydrazine treatment, which is attributed to the increase in C/O ratio determined by XPS compositional analysis and the decrease in area defects, as confirmed by Raman analysis.

本研究探讨了利用各种还原方法（包括乙二醇（EG）、肼、抗坏血酸、热还原及其顺序组合）制备和表征由氧化石墨烯（GO）衍生的还原型氧化石墨烯（RGO）。利用扫描电子显微镜（SEM）、X 射线衍射（XRD）、傅立叶变换红外光谱（FTIR）、热重分析（TGA）、拉曼光谱和 X 射线光电子能谱（XPS）分析了氧化石墨烯及其还原形式的形态、结构和热性能，以及组成和官能团。经抗坏血酸-乙二醇-肼联合处理后，获得了约 2500 S/m 的最高电导率值，这归因于 XPS 成分分析确定的 C/O 比率的增加和拉曼分析证实的面积缺陷的减少。

引用次数: 0

Eco and user–friendly curcumin based nanocomposite forensic powder from coal fly ash for latent fingerprint detection in crime scenes 基于姜黄素的粉煤灰纳米复合法医粉末用于犯罪现场潜伏指纹检测，既环保又方便使用

IF 3.1 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Carbon Trends

Pub Date : 2024-11-13 DOI: 10.1016/j.cartre.2024.100427

E. PRABAKARAN, K. PILLAY

In this study, the production of an eco-friendly curcumin based nanocomposite fingerprint labeling powder is reported for the first time. This powder was prepared from thermal power plant waste known as coal fly ash. 3-aminopropyltrimethoxysilane (APTMS) was covalently interacted with coal fly ash (CFA/APTMS) and curcumin (CUR) was encapsulated onto CFA/APTMS to give a novel and eco-friendly CFA/APTMS/CUR nanocomposite for LFPs detection with the powder dusting method. Several instrumental techniques including Fourier-transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), UV–visible spectroscopy, fluorescence spectroscopy (FL), scanning electron microscopy (SEM), energy-dispersive X-ray spectrometry (EDS), and transmission electron microscopy (TEM) were used to characterize this nanocomposite. The CFA/APTMS/CUR nanocomposite was applied as a forensic powder for the development of latent fingerprint (LFPs) images on various porous and non-porous substrates. Level 2 (island, origination, bifurcation, termination, fork, dot, and bridge) and Level 3 (sweat pores and shape of triangles, round, and irregular) were the features of the LFP images. Under visible light conditions, the aging LFPs images were clearly detected on an aluminum foil surface using the nanocomposite powder, which had good sensitivity and minimal background interference. Additionally, LFPs images were developed using CFA/APTMS/CUR nanocomposite on leather substrates for belts and shoes in order to confirm the benefits of the nanocomposite's high sensitivity. This nanocomposite improved LFPs images with unique patterns and showed excellent performance on a variety of surfaces for the development of LFPs. These findings therefore proved that the powdered CFA/APTMS/CUR nanocomposite can be effectively utilized for the development of LFPs images at important crime scenes and for the biometric identification of criminal suspects through fingerprint comparison.

本研究首次报道了一种生态友好型姜黄素纳米复合指纹标签粉末的生产过程。这种粉末由火力发电厂废弃物粉煤灰制备而成。3-aminopropyltrimethoxysilane (APTMS) 与粉煤灰（CFA/APTMS）发生共价作用，姜黄素（CUR）被包裹在 CFA/APTMS 上，从而制备出一种新型环保的 CFA/APTMS/CUR 纳米复合材料，用于粉末喷粉法检测 LFPs。该纳米复合材料的表征采用了多种仪器技术，包括傅立叶变换红外光谱（FT-IR）、X 射线衍射（XRD）、紫外可见光谱、荧光光谱（FL）、扫描电子显微镜（SEM）、能量色散 X 射线光谱（EDS）和透射电子显微镜（TEM）。CFA/APTMS/CUR 纳米复合材料被用作法医粉末，用于在各种多孔和无孔基底上生成潜伏指纹图像。LFP 图像的特征是二级（岛状、起源、分叉、终止、叉状、点状和桥状）和三级（汗孔和三角形、圆形和不规则形状）。在可见光条件下，使用纳米复合粉末可在铝箔表面清晰地检测到老化的 LFPs 图像，灵敏度高，背景干扰小。此外，还使用 CFA/APTMS/CUR 纳米复合材料在皮带和鞋子的皮革基底上绘制了 LFPs 图像，以证实纳米复合材料的高灵敏度优势。这种纳米复合材料以独特的图案改善了 LFP 图像，并在用于开发 LFP 的各种表面上显示出卓越的性能。因此，这些研究结果证明，粉末 CFA/APTMS/CUR 纳米复合材料可有效地用于重要犯罪现场的 LFPs 图像开发，以及通过指纹对比对犯罪嫌疑人进行生物识别。

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引用次数: 0

Unveiling the nanostructured nature of pyrobitumen and shungite carbons through Raman, X-ray and theoretical analyses 通过拉曼、X 射线和理论分析揭示焦沥青和霰石碳的纳米结构性质

IF 3.1 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Carbon Trends

Pub Date : 2024-11-09 DOI: 10.1016/j.cartre.2024.100421

Eric Faulques , Nataliya Kalashnyk , Yves Lulzac , Yves Moëlo

X-ray powder diffraction and multi-wavelength Raman spectroscopy were employed to characterize carbonaceous geomaterials, offering the first nanostructural analysis of rare pyrobitumen (LP) samples from the Lopérec gold deposit in Brittany, France, by comparing them to Karelian shungite (KS) and carbon allotropes samples. The inter-reticular distances d₍₀₀₂₎ for LP/KS, derived from X-ray diffraction patterns, are 3.57(1)/3.48(1) Å, with crystal thickness Lc₍₀₀₂₎ and graphitization degree of 1.4/2.0 nm and 6.9/13.1, respectively. Raman band deconvolution indicates graphitic domain sizes of L_a = 6.7/8.2 nm and graphene-like flake tortuosity L_t = 9.2/11.3 nm. Extensive density functional theory calculations on various 2D nanoflakes accurately predict that the D and G Raman bands may originate from graphene quantum dots, which form part of the nanostructure of these geomaterials. LP exhibits greater structural disorder than KS, along with a lower density (1.60 vs. 1.85 g/cm³), suggesting a lower degree of graphitization, likely due to formation at a lower temperature (∼300 °C). The Lopérec pyrobitumen is believed to result from a redox process involving a CO₂-rich, oxidizing hydrothermal solution interacting with a local hydrocarbon source.

利用 X 射线粉末衍射和多波长拉曼光谱表征碳质地质材料，通过将法国布列塔尼洛佩雷茨金矿床的稀有焦沥青（LP）样品与卡累利阿闪长岩（KS）和碳同素样品进行比较，首次对其进行了纳米结构分析。根据 X 射线衍射图样得出，LP/KS 的垂直间距 d(002) 分别为 3.57(1)/3.48(1) Å，晶体厚度 Lc(002) 和石墨化程度分别为 1.4/2.0 nm 和 6.9/13.1。拉曼频带解旋显示石墨畴尺寸为 La = 6.7/8.2 nm，石墨烯类薄片曲折度 Lt = 9.2/11.3 nm。对各种二维纳米薄片进行的大量密度泛函理论计算准确地预测了 D 和 G 拉曼带可能来自石墨烯量子点，它们构成了这些土工材料纳米结构的一部分。与 KS 相比，LP 表现出更大的结构无序性，同时密度较低（1.60 vs. 1.85 g/cm³），这表明石墨化程度较低，可能是由于在较低的温度（∼300 °C）下形成的。据信，洛佩雷茨热沥青是富含二氧化碳的氧化热液与当地碳氢化合物源相互作用的氧化还原过程的结果。

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引用次数: 0

Reduced thermal conductivity of constricted graphene nanoribbons for thermoelectric applications 降低热电应用中受限石墨烯纳米带的热导率

IF 3.1 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Carbon Trends

Pub Date : 2024-11-09 DOI: 10.1016/j.cartre.2024.100423

Wenusara Satheekshana , Pasan Henadeera , Chamara Somarathna , Nalaka Samaraweera , Galhenage Asha Sewvandi

Graphene nanoribbons (GNRs) hold promise as thermoelectric (TE) materials due to their advantageous electronic properties compared to conventional candidates. However, a key challenge to enhancing the TE performance of GNRs lies in reducing the thermal conductivity while maintaining the electronic transport properties. To address this challenge - this study proposes a GNR-based structure featuring nanoscale constrictions named graphene nano constrictions (GNCs). This work systematically analyzes the thermal transport properties of these GNCs and compares them to conventional GNRs. Non-Equilibrium Molecular Dynamics (NEMD) simulations were employed to evaluate the lattice thermal conductivity of the material, and a marked reduction of thermal conductivity exceeding 74 % was observed in the proposed structures. Furthermore, it is revealed that the thermal conductivity of these structures can be further tailored by manipulating their physical geometry, focusing on the length and the constriction dimensions. Additionally, superlattice counterparts of the GNCs composed of graphene and h-BN are explored in this study. Subsequently, an 88 % reduction of lattice thermal conductivity is observed in the superlattice counterparts of GNCs compared to GNRs. Overall, this study demonstrates the effectiveness of nanoscale constrictions in manipulating the thermal conductivity of GNR-based structures, creating a path for optimizing their TE performance and potential device applications.

石墨烯纳米带（GNR）具有优于传统候选材料的电子特性，有望成为热电（TE）材料。然而，要提高 GNR 的热电性能，关键的挑战在于如何在保持电子传输特性的同时降低热导率。为了应对这一挑战，本研究提出了一种基于 GNR 的结构，该结构具有纳米级收缩，被命名为石墨烯纳米收缩（GNCs）。这项工作系统地分析了这些 GNC 的热传输特性，并将其与传统的 GNR 进行了比较。研究人员采用非平衡分子动力学（NEMD）模拟来评估材料的晶格热导率，结果发现拟议结构的热导率明显降低，降幅超过 74%。此外，研究还发现，这些结构的热导率可以通过操纵其物理几何形状（主要是长度和收缩尺寸）来进一步调整。此外，本研究还探讨了由石墨烯和 h-BN 组成的 GNC 的超晶格对应物。结果发现，与 GNRs 相比，GNCs 的超晶格对应物的晶格热导率降低了 88%。总之，本研究证明了纳米级约束在操纵基于 GNR 结构的热导率方面的有效性，为优化其 TE 性能和潜在的器件应用开辟了一条道路。

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引用次数: 0