Article
Chemistry, Physical
Junqin Duan, Kailu Guo, Hua Li, Jian Li, Yong Peng, Haiyan Ma, Cailing Xu
Summary: The core-shell heterostructure between ultrasmall ceria nanoparticles and Co3O4 nanowires (CeOx@Co3O4) was successfully constructed via rapid electrodeposition. The CeOx@Co3O4 heterostructure showed a strong enhancement of electrocatalytic activity for oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) with low overpotential and small Tafel slopes. The electrolyzer based on CeOx@Co3O4 heterostructure exhibited a low cell voltage and excellent stability. This work provides valuable insights for the preparation of cost-effective and highly active bifunctional electrocatalysts.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Analytical
Yan Wang, Lei Chen, Jianfang Zhang, Shuai Xia, Rui Cai, Jiarui Wang, Cuiping Yu, Yong Zhang, Jingjie Wu, Yucheng Wu
Summary: A confined synthetic strategy is developed to fabricate NiCo2S4 nanowires with controllable morphology anchored on nitrogen-doped reduced graphene oxide (N-rGO) aerogels, which exhibits much enhanced electrocatalytic activity for water electrolysis.
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
(2022)
Review
Chemistry, Multidisciplinary
A. K. Mrinalini Kalyani, R. Rajeev, L. Benny, A. R. Cherian, A. Varghese
Summary: Developing sustainable and environment-friendly energy conversion and storage devices requires advanced and economical nano-structured electro-catalysts, such as graphitic carbon nitride (g-C3N4), which has gained attention due to its synthesis ease, high nitrogen content, conductivity, and tunable band gap energy. Research on the structural modifications of g-C3N4, including functionalization, elemental doping, and hybridizing techniques, has focused on improving its electro-catalytic performance by increasing the number of active sites. This review provides a concise perspective on surface tuning of g-C3N4 for enhancing its electrocatalytic applications. (c) 2023 Elsevier Ltd. All rights reserved.
MATERIALS TODAY CHEMISTRY
(2023)
Article
Chemistry, Physical
P. P. Sahay
Summary: Co3O4-NiO based nanocomposite films were electrochemically deposited onto FTO glass substrates in aqueous solutions with different mole ratios of cobalt (II) and nickel (II). The structural analysis revealed that the Co3O4 cubic phase dominated the composite films, leading to higher specific capacitance. The composite films showed different structures and exhibited higher specific capacitance due to the synergistic effect of the two metal oxides.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Nanoscience & Nanotechnology
Javier Fragoso, Davide Barreca, Lorenzo Bigiani, Cinzia Sada, Oleg Lebedev, Evgeny Modin, Ivana Pavlovic, Luis Sanchez, Chiara Maccato
Summary: This study focuses on supported Co3O4-based nanomaterials fabricated via chemical vapor deposition, evaluated for the first time as photocatalysts for NO oxidation under sunlight. Heterostructure formation through deposition of SnO2 or Fe2O3 onto Co3O4 was explored, showing a direct dependence of system behavior on the chemical composition, overlayer morphology, and charge transfer events. The results provide valuable guidelines for the future development of improved photocatalysts for air purification.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Chemistry, Multidisciplinary
Hui Zheng, Ziwei Ma, Yunxia Liu, Yizhe Zhang, Jinyu Ye, Elke Debroye, Longsheng Zhang, Tianxi Liu, Yi Xie
Summary: In this study, an oxygen-vacancy-enriched perovskite oxide was synthesized and explored as an electrocatalyst for the NOR process. The results showed high Faradaic efficiency and yield rate, which were correlated with the amount of oxygen vacancies. Theoretical simulations revealed that the presence of oxygen vacancies can decrease the thermodynamic barrier for the NOR reaction.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Physical
Kumar Kashyap Hazarika, Yusuke Yamada, Ekaterina V. Matus, Mikhail Kerzhentsev, Pankaj Bharali
Summary: The transition metal oxide based electrocatalyst with mixed valence state exhibits high activity and stability, showing promising potential for oxygen electrocatalysis.
JOURNAL OF POWER SOURCES
(2021)
Article
Chemistry, Multidisciplinary
Ana Luisa Silva, Laura M. Esteves, Ludmila P. C. Silva, Vitor S. Ramos, Fabio B. Passos, Nakedia M. F. Carvalho
Summary: This study presented the application of Mn-doped Co3O4 oxides in the electrocatalytic oxygen evolution reaction, showing higher activity with higher Co:Mn molar ratio. The excellent OER activity of the Mn-Co oxides in a wide pH range highlights their potential for practical application in various electrolyte solutions.
Article
Chemistry, Physical
Ye Wang, Yu-Quan Zhu, Zhiheng Xie, Si-Min Xu, Ming Xu, Zezhou Li, Lina Ma, Ruixiang Ge, Hua Zhou, Zhenhua Li, Xianggui Kong, Lirong Zheng, Jihan Zhou, Haohong Duan
Summary: This study reports a single-atom doping strategy to enhance the activity and selectivity of Co3O4 in the electrocatalytic oxidation reaction of glycerol. Experimental and theoretical investigations reveal that the strategy generates reactive OH* species at CoTd2+ sites by substituting Bi for CoOh3+ sites in Co3O4. Mechanistic studies demonstrate that OH* accelerates the oxidation and cleavage of hydroxy groups and C-C bonds, achieving efficient glycerol oxidation.
Article
Chemistry, Analytical
Madiha Khan, Khouloud Abid, Angelo Ferlazzo, Viviana Bressi, Claudia Espro, Mozaffar Hussain, Antonino Foti, Pietro Giuseppe Gucciardi, Giovanni Neri
Summary: In this study, the performance of electrochemical biosensors based on Co3O4:Fe2O3 heterojunctions was improved. Co3O4:Fe2O3 nanocomposites were synthesized using the sol-gel auto-combustion method and were examined for their redox behavior. The modified Co3O4:Fe2O3, (0.5 wt%, x = 0.4 wt%)/SPCE electrode showed the best electrochemical performance towards dopamine.
Article
Chemistry, Physical
Jian Chen, Na Zhao, Dong-Mei Shi, Peng Wang, Yu-Run Chen
Summary: SnO2-modified Co3O4 microflowers with porous nanosheets and ultra-small SnO2 particles on the surface of Co3O4 are prepared without templates using solvothermal methods and annealing treatment. The as-synthesized samples are characterized using various techniques and exhibit hierarchically porous structures with a higher surface area for SnO2-modified Co3O4 compared to bare Co3O4. As anode materials in Li-ion batteries, the SnO2-modified Co3O4 sample shows higher specific capacity, better rate capability, and superior cyclic stability with a discharge capacity of 767.5 mAh g-1 after 100 cycles at 200 mA g-1 and a reversible capacity of 438.8 mAh g-1 after 1000 cycles at 3.0 A g-1.
JOURNAL OF ALLOYS AND COMPOUNDS
(2023)
Article
Engineering, Environmental
Xiaoxuan Wang, Liang Zhao, Rui Zhao, Yixiang Zhou, Shiyu Wang, Xinyue Chi, Yuanyuan Xiong, Yebo Yao, Kaixin Zhang, Yongjia Li, Zhiyu Yang, Yi-Ming Yan
Summary: This study enhances the efficiency of the electrocatalytic nitrogen reduction reaction (ENRR) by designing an electrocatalyst with a high-curvature structure that generates a strong local electric field, resulting in increased concentration of N-2 and improved NH3 yield.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Chemistry, Physical
Akash Rawat, Sagar Panwar, L. P. Purohit
Summary: Hollow cylindrical nanocomposites were synthesized using the sol-gel co-precipitation method and coated on inter-digitated electrodes using the doctor blade method. Various characterization techniques were used to analyze the samples and confirmed the presence of hollow cylindrical microstructure and a surface rich in oxygen vacancies and adsorbed oxygen species. Gas sensing tests showed that the sensor with x=0.8 exhibited the highest response.
SURFACES AND INTERFACES
(2023)
Article
Energy & Fuels
Guilherme S. Rocha, Ana Luisa Silva, Ludmila P. C. Silva, Fabio B. Passos, Nakedia M. F. Carvalho
Summary: Palladium(II) oxide supported over Co3O4 was studied as an electrocatalyst for oxygen evolution reaction (OER) in acid, neutral, and alkaline solutions. The combination of PdO and Co3O4 improved the OER activity and stability by providing lower charge-transfer resistance and higher electron-transfer kinetics.
Article
Energy & Fuels
Guilherme S. Rocha, Ana Luisa Silva, Ludmila P. C. Silva, Fabio B. Passos, Nakedia M. F. Carvalho
Summary: In this study, the electrocatalytic activity and stability of PdO supported on Co3O4 were successfully improved for oxygen evolution reaction in acid, neutral, and alkaline solutions. PdO@Co3O4 showed higher electrical conductivity and lower overpotential, which can be attributed to the lower charge-transfer resistance provided by the noble metal and the higher electron-transfer kinetics.
Article
Chemistry, Physical
Mohammad Hadi Nafar Sefiddashti, Brian J. Edwards, Bamin Khomami, Eric S. G. Shaqfeh
Summary: Recent NEMD simulations have shown that extensional flow of entangled polymer melts can lead to the coexistence of separate domains consisting primarily of either coiled or stretched chain-like macromolecules. This flow-induced phase separation results in bimodal configurational distributions, which are only possible when the CCR parameters are consistent with the rate of flow-induced disentanglement.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Brian J. Edwards, M. Hadi Nafar Sefiddashti, Bamin Khomami
Summary: The quantification of configurational entropy in polymeric liquids presents a challenge in nonequilibrium thermodynamics. Theoretical calculations based on three-dimensional probability distributions can provide insight into entropy values but require significant computational resources and face challenges in relating atomic positions to configurational mesostates.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Mechanics
Jiaxing Song, Fenghui Lin, Nansheng Liu, Xi-Yun Lu, Bamin Khomami
Summary: The flow physics of inertio-elastic turbulent Taylor-Couette flow with a radius ratio of 0.5 in the Reynolds number range of 500 to 8000 was investigated through direct numerical simulation. The study revealed two distinct regimes of turbulence dynamics as Reynolds number increases, with either nonlinear elastic forces or inertial forces dominating the flow physics in the low and high Reynolds number regimes, impacting the flow structures in the bulk and near-wall regions differently. Examination of the flow-microstructure coupling analysis showed the triggering of elastic Gortler instability in the near-wall region, leading to the formation of small-scale elastic vortical structures known as elastic Gortler vortices with longer average life span compared to their Newtonian counterparts.
JOURNAL OF FLUID MECHANICS
(2021)
Article
Mechanics
Jiaxing Song, Zhen-Hua Wan, Nansheng Liu, Xi-Yun Lu, Bamin Khomami
Summary: A high-order transition route has been discovered in Taylor-Couette flows of polymeric solutions, transitioning from inertial to elasticity-dominated turbulence via direct numerical simulations. This two-step transition route involves stabilizing inertial turbulence to laminar flow resembling modulated wavy vortex flow, then destabilizing the laminar flow state to elasticity-dominated turbulence. This transition is achieved by enhancing the extensional viscosity and hoop stresses of the polymeric solution.
JOURNAL OF FLUID MECHANICS
(2021)
Article
Physics, Multidisciplinary
Brian Joseph Edwards, Mohammad Hadi Nafar Sefiddashti, Bamin Khomami
Summary: This study tackles the challenge of calculating nonequilibrium entropy in polymeric liquids undergoing flow by extending equilibrium thermodynamics and applying it to nonequilibrium conditions. By introducing internal variables that quantify the internal microstructure of chain-like macromolecules and assuming an evolution of quasi-equilibrium states, the authors were able to determine the nonequilibrium entropy at different levels of coarse-graining.
Article
Mechanics
Brian J. Edwards, M. Hadi Nafar Sefiddashti, Bamin Khomami
Summary: This retrospective covers the growth and application of atomistic simulations of alkanes and polyethylenes over a 50-year period, focusing on the development of accurate potential models and the application of molecular dynamics methodology. The authors summarize the results of simulations from the past 50 years, providing a coherent history of the subject and highlighting the significant impacts on the field of polymer rheology.
JOURNAL OF RHEOLOGY
(2022)
Article
Mechanics
Mandi Boudaghi, M. Hadi Nafar Seddashti, Brian J. Edwards, Bamin Khomami
Summary: Dissipative particle dynamics (DPD) simulations replicate the coil-stretch transition (CST) and configurational relaxation of entangled polyethylene melts observed in planar elongational flow (PEF). The width of the CST hysteresis loop is larger for longer molecule liquids. Reducing the flow Deborah number results in a two-stage relaxation process, with initial stratification followed by configurational relaxation.
JOURNAL OF RHEOLOGY
(2022)
Article
Mechanics
Jiaxing Song, Nansheng Liu, Xi-Yun Lu, Bamin Khomami
Summary: Three-dimensional elastic turbulence in Taylor-Couette flows of dilute polymer solutions has been achieved and studied through direct numerical simulations. A novel flow transition pathway from elastically dominated turbulence to solitary vortex pairs and eventually to purely elastic turbulence is observed by decreasing fluid inertia. The dominant flow features in the elastic turbulence regime are large-scale unsteady vortex pairs and small-scale traveling waves. Furthermore, the study concludes that the production of turbulent kinetic energy in purely elastic turbulence is solely due to the stochastic nature of polymer stretch/relaxation.
JOURNAL OF FLUID MECHANICS
(2022)
Review
Multidisciplinary Sciences
Jiaxing Song, Yabiao Zhu, Fenghui Lin, Nansheng Liu, Bamin Khomami
Summary: This retrospective aims to present a coherent history of important findings in direct numerical simulations and experiments in turbulent Taylor-Couette flow of dilute polymeric solutions in the last decade. Specifically, the article discusses the sequence of flow transitions due to an increase in fluid elasticity, including drag modification, flow structures, statistics, and mechanisms of turbulence, as well as a comparison with curvilinear and rectilinear shear flows. This article is part of a theme issue on Taylor-Couette and related flows.
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
(2023)
Article
Chemistry, Physical
Mahdi Boudaghi, Brian J. J. Edwards, Bamin Khomami
Summary: The evolution of shear banding under startup of shear flow was simulated for different molecular weight polyethylene melts. It was found that shear stress was dominated by segmental orientation at low shear rates, but flow-induced disentanglement resulted in the onset of chain tumbling and reduced shear stress at a critical shear rate. During shear flow startup, distinct fast and slow bands formed, consisting of more disentangled and extended chains and relatively entangled and coiled molecules, respectively. The simulation results showed temporary reverse flow, consistent with earlier experiments and theoretical results. The phenomenon of shear banding appeared to arise from flow-induced disentanglement and differential stretching of individual chains, resulting in the formation of slow and fast bands.
Article
Physics, Fluids & Plasmas
Jiaxing Song, Fenghui Lin, Yabiao Zhu, Zhen-Hua Wan, Nansheng Liu, Xi-Yun Lu, Bamin Khomami
Summary: Direct numerical simulation is used to identify the dominant flow structures in the Taylor-Couette flow of dilute polymer solutions. It is found that unsteady diwhirls and elastic waves play important roles in the formation of elastic turbulence. The interaction between these elements leads to stochastic or chaotic cycles that sustain the turbulent dynamics.
PHYSICAL REVIEW FLUIDS
(2023)
Article
Mechanics
Yabiao Zhu, Zhenhua Wan, Fenghui Lin, Nansheng Liu, Xiyun Lu, Bamin Khomami
Summary: The existence of a maximum drag enhancement (MDE) asymptote at high rotation (Ro) and Weissenberg (Wi) numbers in turbulent viscoelastic spanwise-rotating plane Couette flow has been demonstrated. Above a critical Wi, drag enhancement plateaus and the MDE asymptote is realized in a broad range of Ro. The mean velocity profiles at MDE closely follow a log-law profile that has a nearly identical slope but different intercepts as a function of Ro. Moreover, the intriguing finding is that MDE occurs in the elasto-inertial turbulence (EIT) flow state and is mainly sustained by elastic forces like the MDR flow state. Hence, a universal picture of elastically induced drag modification asymptotes is emerging, where these asymptotic states are inherent to the elastically sustained EIT flow state.
JOURNAL OF FLUID MECHANICS
(2023)
Article
Polymer Science
Mohammad Hadi Nafar Sefiddashti, Brian J. Edwards, Bamin Khomami
Summary: Atomistic simulations were performed on linear, entangled polyethylene melt under uniaxial elongational flow conditions. Flow-induced phase separation and crystallization were observed at intermediate and high flow strengths, respectively. The flow-induced crystallization occurred at a temperature higher than the quiescent melting point and remained stable after flow cessation. The results were consistent with experimental measurements of thermodynamic properties.
Article
Chemistry, Multidisciplinary
Mahshid Mokhtarnejad, Erick L. Ribeiro, Dibyendu Mukherjee, Bamin Khomami
Summary: In this study, hybrid nanocomposites (HNCs) based on manganese oxides (MnOx/Mn3O4) and reduced graphene oxide (rGO) were synthesized as active electrodes for energy storage devices. The active material was composed of MnOx/Mn3O4 nanorods and nanoparticles embedded in rGO nanosheets. The performance of the active layer was highly correlated with the MnOx/Mn3O4 to rGO ratio and the morphology of MnOx/Mn3O4 nanostructures in HNCs. Electrochemical characterizations showed that the MnOx/Mn3O4-rGO composite exhibited significantly higher specific capacitance compared to commercially available Mn3O4-graphene nanocomposites. The study has paved the way for the use of LASiS-based synthesized functional material in combination with additive manufacturing techniques for all-printed electronics with superior performance.
Article
Chemistry, Physical
Erick L. Ribeiro, Elijah M. Davis, Mahshid Mokhtarnejad, Sheng Hu, Dibyendu Mukherjee, Bamin Khomami
Summary: This study presents a facile technique for synthesizing Pt-Co bimetallic nanoparticles with superior electrocatalytic activities for oxygen reduction reaction. By adjusting the precursor concentrations, a higher degree of Pt-Co alloying can be facilitated to enhance catalytic activities while maintaining long-term stabilities in highly concentrated alkaline media. The unique configurations of the Pt-Co nanoparticles coated with a graphitic shell and supported by Co3O4-decorated carbon matrix contribute to the outstanding performances.
CATALYSIS SCIENCE & TECHNOLOGY
(2021)