Article
Mechanics
Lili Hu, Peng Feng
Summary: The use of PS CFRP technology effectively enhances the buckling resistance of steel columns. Axial and eccentric compression tests were conducted under different conditions, analyzing the buckling capacity and failure modes, and further establishing a model of the buckling mechanism.
COMPOSITE STRUCTURES
(2021)
Article
Chemistry, Inorganic & Nuclear
Jonghoon Choi, Sun Hee Kim, Yunho Lee
Summary: Square pyramidal cobalt complexes were prepared to study their multielectron redox properties, where a stable redox-active cobalt complex was successfully built. Tuning of the Co(II/I) couple's redox potential was achieved by introducing different axial donors. The close energy levels of the redox-active d(z2) orbital to other ligand-based orbitals resulted in observed multielectron redox activity.
INORGANIC CHEMISTRY
(2021)
Article
Nanoscience & Nanotechnology
Jun Ding, He Ma, Xiao Xiao, Qingwei Li, Kai Liu, Xinping Zhang
Summary: A flexible torsional actuator based on an MXene-CNT-PW film has been proposed, delivering excellent actuation performance and potentially serving as a noncontact sensor, rotary motor, and grabbing tool in the soft robot system.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Article
Energy & Fuels
Denis F. Alvarenga, Mario Guimara, Mayara C. G. Santos, Paula S. Pinto, Thiago H. R. da Cunha, Matheus C. Dias, Rodrigo L. Lavall, Paulo F. R. Ortega
Summary: In recent years, supercapacitors (SCs) using redox electrolytes have been recognized as a simple technology to enhance the energy density of the devices. However, there is a lack of research focusing on obtaining flexible and foldable electrode materials with high capacity to adsorb redox additives from the electrolyte for integrable devices. In this study, buckypapers (BPs) composed of few-walled carbon nanotubes (FWCNT) and different cellulose nanofibrils (CNF) were prepared as flexible and foldable redox SC electrodes. It was found that CNFs can optimize the properties of BPs and improve their performance in terms of hydrophilicity, mechanical strength, electrical conductivity, and electrochemical performance.
JOURNAL OF ENERGY STORAGE
(2022)
Article
Chemistry, Multidisciplinary
Hanqing Wei, Heidi Zhi Jin Ting, Yongji Gong, Chaofeng Lue, Olga E. Glukhova, Haifei Zhan
Summary: This study evaluated the torsional performance of carbon nanotube (CNT) bundles with randomly packed CNTs through in silico simulations and found significant differences in properties among bundles with varying constituent CNTs and packing morphologies. The separate fracture of the inner and outer walls of double-walled CNTs was also observed to affect the performance of the corresponding bundles.
Article
Biochemistry & Molecular Biology
Ibwanga S. Mosse, Venkateswara Rao Sodisetti, Christopher Coleman, Siphephile Ncube, Alvaro S. de Sousa, Rudolph M. Erasmus, Emmanuel Flahaut, Thomas Blon, Benjamin Lassagne, Tomas Samoril, Somnath Bhattacharyya
Summary: The degree of chemical functionalization associated with molecular magnet loading can be utilized for controlled tuning the magnetic properties of a CNT-lanthanide hybrid complex. This controlled loading has led to a significant change in the nanotube intrinsic diamagnetism, showing antiferromagnetic coupling with increase in the Weiss temperature with respect to increased loading. This indicates the potential for developing novel spintronic technologies through a carbon-based hybrid material.
Article
Nanoscience & Nanotechnology
Woomin Park, Hyeonseok Hwang, Sohee Kim, Sungbin Park, Kwang-Suk Jang
Summary: Thermoelectric carbon nanoparticle-carbon nanotube heterostructures were introduced as a promising flexible thermoelectric material, with optimized barrier energy and controlled work function of CNPs for improved thermoelectric performance. The optimized heterostructures demonstrated enhanced Seebeck coefficient and power factor, showing potential for application in thermoelectric generators.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Engineering, Mechanical
Gianluca Costagliola, Federico Bosia, Nicola M. Pugno
Summary: This paper extends the 2D spring-block model to investigate friction between surfaces in torsional contact. It shows that appropriate grading of the tribological properties of the surface can prevent non-uniform sliding transition due to axisymmetric configuration.
Article
Polymer Science
Astrid Diekmann, Marvin C. V. Omelan, Ulrich Giese
Summary: Incorporating nanofillers into elastomers leads to composites with great potential, but concerns arise due to agglomeration of fillers. Different carbon nanotube pretreatment methods were analyzed to improve filler dispersion in polydimethylsiloxane (PDMS)/CNT composites. While solvent dispersion led to increased electrical conductivity, it also caused a softening effect due to solvent residues. Chemical functionalization improved compatibility but damaged CNTs, overshadowing the conductivity and reinforcement enhancement effects.
Article
Chemistry, Multidisciplinary
Yahui Wu, Chunjun Chen, Xupeng Yan, Xiaofu Sun, Qinggong Zhu, Pengsong Li, Yiming Li, Shoujie Liu, Jingyuan Ma, Yuying Huang, Buxing Han
Summary: Guided by first-principles calculations, it was discovered that Cd single-atom catalysts have excellent performance in activating CO2, and the introduction of axial coordination structure can further decrease the free energy barrier of CO2 reduction while suppressing the hydrogen evolution reaction. The designed and synthesized novel Cd SAC showed outstanding performance in CO2 electroreduction to CO, achieving a high faradaic efficiency and turnover frequency. This work serves as a successful example of designing highly efficient catalysts guided by theoretical calculations.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Materials Science, Ceramics
Kar Fei Chan, Mohd Hafiz Mohd Zaid, Shahira Liza, Md Shuhazlly Mamat, Khamirul Amin Matori, Nor Azam Endot, Masaki Tanemura, Yazid Yaakob
Summary: Novel glass-ceramic composites with tunable optical bandgap were synthesized by mixing zinc silicate powder with multi-walled carbon nanotubes at different mass fractions and sintering under argon atmosphere. The addition of MWCNTs enhanced the crystallinity of ZS and resulted in a shift in the emission wavelength of Zn2SiO4. No chemical interaction between ZS and MWCNTs was observed, indicating that MWCNTs mainly influenced the performance of the composites by enhancing crystallization.
CERAMICS INTERNATIONAL
(2021)
Article
Thermodynamics
Hao Dang, Dongxing Song, Zizhen Lin, Meng An, Weigang Ma, Xing Zhang
Summary: This study proposes a strategy to enhance the thermophoresis of confined nano-liquid using an external electric field, and demonstrates its feasibility through molecular dynamics simulation. The work has great potential applications in seawater desalination, cellular uptake and drug carrier, and nanofiltration membranes.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2022)
Article
Nanoscience & Nanotechnology
Ashley L. Kaiser, Amy R. Vanderhout, Luiz H. Acauan, Azreen Zaman, Dale L. Lidston, Itai Y. Stein, Brian L. Wardle
Summary: This study investigates the adhesion strength between aligned carbon nanotube arrays and substrates by using a simple thermal post-growth processing method. The results show that the adhesion strength evolves in three different regimes with changes in temperature. This research provides insights into the interfacial interactions and the ability to tune the array strength, which has significant implications for applications such as sensors, energy devices, and nanoelectromechanical systems (NEMS).
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Engineering, Environmental
Mengchan Dong, Jin Guo, Qiushan Liu, Jia Zeng, Xinya Xiong, Xiaoli Gai, Yufei Wang, Yaochen Wu
Summary: Low-pressure carbon nanotube membranes (CNT membranes) were prepared using different types of carbon nanotubes (multi-walled, carboxyl functionalized, single-walled) and their surface properties were altered with non-covalent functionalization. These CNT membranes were then used to remove organic dyes and pharmaceuticals/personal care products (PPCPs). The results showed that the effectiveness of the CNT membranes varied depending on the surface properties, with HA/SDS/SA non-covalent functionalized MWCNTs membrane promoting the removal of cationic dye but hindering the removal of anionic dye and PPCPs. The specific surface area of the CNTs played a crucial role in the filtration process. SWCNTs membranes demonstrated high removal rates for PPCPs, with a further increase observed with SASWCNTs membrane. HA and SDS functionalization only slightly affected the removal of PPCPs. This study provides valuable insights for the practical application of low-pressure CNT membranes.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2023)
Article
Chemistry, Physical
Shilong Fu, Ming Li, Wiebren de Jong, Ruud Kortlever
Summary: N-doped biochar catalysts with different physicochemical properties were synthesized and used for electrochemical CO2 reduction to CO. The catalytic performance varied significantly among the prepared catalysts, with maximum faradaic efficiency to CO ranging from 26.8% to 94.9% at around -0.8 to -0.9V vs RHE. Increasing the specific surface area and N-doping level did not effectively improve the catalytic performance. However, improving the degree of graphitization, surface hydrophobicity, the abundance of defects, and optimizing the porosity of the N-doped biochar catalyst enhanced the catalytic performance for the CO(2)RR.
Article
Chemistry, Physical
James M. Goff, Susan B. Sinnott, Ismaila Dabo
JOURNAL OF CHEMICAL PHYSICS
(2020)
Article
Multidisciplinary Sciences
Fu Zhang, Wenkai Zheng, Yanfu Lu, Lavish Pabbi, Kazunori Fujisawa, Ana Laura Elias, Anna R. Binion, Tomotaroh Granzier-Nakajima, Tianyi Zhang, Yu Lei, Zhong Lin, Eric W. Hudson, Susan B. Sinnott, Luis Balicas, Mauricio Terrones
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2020)
Editorial Material
Materials Science, Multidisciplinary
Susan B. Sinnott, David F. Bahr, Angus Rockett, Michael D. Williams, Hatem Zurob
Article
Materials Science, Multidisciplinary
Anuj Goyal, Yangzhong Li, Aleksandr Chernatynskiy, Jay S. Jayashankar, Michael C. Kautzky, Susan B. Sinnott, Simon R. Phillpot
Summary: The SFE energy curves of pure gold and its binary alloys with transition metals are determined from DFT, showing the influence of alloying elements on SFE. Different calculation methods yield different results for SFE. The introduction of alloy elements decreases the intrinsic SFE of gold, but SFE is strongly influenced by the distance and concentration of the alloying elements.
COMPUTATIONAL MATERIALS SCIENCE
(2021)
Article
Chemistry, Multidisciplinary
Shannon McGee, Yu Lei, James Goff, Collin J. Wilkinson, Nabila Nabi Nova, Cody Matthew Kindle, Fu Zhang, Kazunori Fujisawa, Edgar Dimitrov, Susan B. Sinnott, Ismaila Dabo, Mauricio Terrones, Lauren D. Zarzar
Summary: The study explores a laser direct-write method to synthesize and deposit metastable mixed transition metal oxides for use as oxygen evolution reaction catalysts. Experimental comparisons of catalysts with varying compositions revealed that higher iron content and less crystalline structure in the secondary matrix are beneficial for electrocatalytic activity. This conclusion is supported by density-functional theory calculations showing the importance of distorted active sites in ternary metal catalysts for lowering overpotentials in the oxygen evolution reaction.
Editorial Material
Materials Science, Multidisciplinary
Susan B. Sinnott
COMPUTATIONAL MATERIALS SCIENCE
(2022)
Article
Materials Science, Multidisciplinary
Robert Slapikas, Ismaila Dabo, Susan B. Sinnott
Summary: This study investigates the durability of platinum nanoparticles and how particle size and oxygen coverage affect their reconstruction under gas-phase conditions and in oxidizing environments. Molecular dynamics simulations and experimental measurements are used to analyze the behavior of the nanoparticles. The findings show that the reconstruction of oxidized nanoparticles becomes more pronounced at higher temperatures, while some non-oxidized nanoparticles also exhibit unexpectedly fast reconstruction.
COMPUTATIONAL MATERIALS SCIENCE
(2022)
Article
Chemistry, Physical
Yuxiang Wang, Difan Zhang, Susan B. Sinnott
Summary: This study investigates the adsorption of pure SO2 by porous aromatic frameworks (PAFs) using computational methods. The presence of specific functional groups is found to enhance SO2 uptake at low pressure, although introducing two functional groups decreases the maximum adsorption limit.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Furkan Turker, Chengye Dong, Maxwell T. Wetherington, Hesham El-Sherif, Stephen Holoviak, Zachary J. Trdinich, Eric T. Lawson, Gopi Krishnan, Caleb Whittier, Susan B. Sinnott, Nabil Bassim, Joshua A. Robinson
Summary: This study demonstrates that the formation and properties of 2D oxides at the graphene/silicon carbide interface depend on the properties of the graphene buffer layer. By using different materials and processing methods, it is possible to achieve 2D oxides with different properties, and the electrical characteristics of the graphene/oxide/silicon carbide interface can be controlled.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Nanoscience & Nanotechnology
Matthew Brahlek, Maria Gazda, Veerle Keppens, Alessandro R. Mazza, Scott J. McCormack, Aleksandra Mielewczyk-Gryn, Brianna Musico, Katharine Page, Christina M. Rost, Susan B. Sinnott, Cormac Toher, Thomas Z. Ward, Ayako Yamamoto
Summary: High entropy oxides are an exciting new field that allows for the design of highly customized functional behaviors that do not have traditional counterparts. The study and application of these materials bring together scientists and engineers from different disciplines. Understanding a material's crystallinity, composition, and mixing length scales is critical in determining its true definition.
Editorial Material
Materials Science, Multidisciplinary
Susan B. Sinnott
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Chemistry, Physical
Shannon McGee, Andres Fest, Cierra Chandler, Nabila N. Nova, Yu Lei, James Goff, Susan B. Sinnott, Ismaila Dabo, Mauricio Terrones, Lauren D. Zarzar
Summary: In this study, we synthesized multimetal catalysts using a laser synthesis method and found that adding a small amount of chromium to the catalyst can enhance the hydrogen evolution efficiency. This research provides new insights for future electrocatalytic design.
ACS APPLIED ENERGY MATERIALS
(2023)
Article
Chemistry, Physical
Robert E. Slapikas, Ismaila Dabo, Susan B. Sinnott
Summary: This study examines the stability and dissolution of oxidized platinum nanoparticles (NPs) in a water environment using classical molecular dynamics simulations. The results show that the presence of oxygen and temperature significantly affect the stability and dissolution of the NPs.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
Article
Materials Science, Multidisciplinary
James M. Goff, Bryant Y. Li, Susan B. Sinnott, Ismaila Dabo
Summary: This paper introduces cluster order parameters for systematically quantifying arbitrary multipoint ordering motifs in substitutional systems, applied to quantify four-point chemical ordering motifs in alloy nanoparticles. Results show that approximating four-point probabilities from superpositions of lower-order pair probabilities is not sufficient when three- and four-body terms are included in the energy expression.
Article
Nanoscience & Nanotechnology
Yanfu Lu, Susan B. Sinnott
ACS APPLIED NANO MATERIALS
(2020)
