In recent experiments, unprecedentedly large values for the conductivity of electrolytes through carbon nanotubes (CNTs) have been measured, possibly owing to flow slip and a high pore surface charge density whose origin remains debated. Here, we model the coupling between the CNT capacitance and the electrolyte-filled pore one and study how electrolyte transport is modulated when a gate voltage is applied to the CNT. Our work shows that under certain conditions the quantum capacitance is lower than the pore one due to the finite quasi-1D CNT electronic density of states and therefore controls the CNT surface charge density that dictates the confined electrolyte conductivity. The dependence of the computed surface charge and conductivity on reservoir salt concentration and gate voltage is thus intimately related to the electronic properties of the CNT. This approach provides key insight into why metallic CNTs have larger experimentally measured conductivities than semiconducting ones.
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http://dx.doi.org/10.1021/acs.jpclett.3c03248 | DOI Listing |
Int J Biol Macromol
December 2024
Key Laboratory of Molecular Microbiology and Technology, Ministry of Education, TEDA Institute of Biological Sciences and Biotechnology, Nankai University, TEDA, Tianjin 300457, PR China; Tianjin Key Laboratory of Microbial Functional Genomics, Tianjin 300457, PR China. Electronic address:
The robustness and catalytic activity of superoxide dismutase (SOD) are still the main factors limiting their application in industrial fields. This study aims to further improve the properties of a natural thermophilic iron/manganese dual-domain SOD (Fe/Mn-SODA fused with N-terminal polypeptide) from Geobacillus thermodenitrificans NG80-2 (GtSOD) by modifying its each domain using in-depth in silico prediction analysis as well as protein engineering. First, computational analysis of the N-terminal domain and GtSODA domain was respectively performed by using homologous sequence alignment and virtual mutagenesis.
View Article and Find Full Text PDFAdv Colloid Interface Sci
December 2024
Department of Chemistry and Centre for Advance Study in Chemistry, Panjab University, Chandigarh, India. Electronic address:
Meeting the contemporary demand for the development of functional, biocompatible, and environment friendly self-assembled structures using efficient, cost-effective, and energy-saving methods, the field of colloids has witnessed a surge in interest. Research into cationic and anionic (catanionic) surfactant combinations has gained momentum due to their distinct advantages and synergistic properties in this context. Catanionic self-assemblies have emerged as promising contenders for addressing these requirements.
View Article and Find Full Text PDFLangmuir
December 2024
Department of Physics, National Institute of Technology, Jamshedpur-831014, India.
We have conducted a systematic study employing density functional theory (DFT) and quantum theory of atoms in molecules (QTAIM) to explore the gas sensing capabilities of nitrogen-doped single vacancy graphene quantum dots (SV/3N) decorated with transition metals (TM = Mn, Co, Cu). We have studied the interactions between TM@SV/3N and four different target gases (AsH, NH, PH, and HS) through the computation of adsorption energies, charge transfer, noncovalent interaction, density of states, band gap, and work function for 12 distinct adsorption systems. Our comprehensive analysis included an in-depth assessment of sensors' stability, sensitivity, selectivity, and reusability for practical applications.
View Article and Find Full Text PDFAdv Sci (Weinh)
December 2024
Institute of Materials Science, Technische Universität Darmstadt, Peter-Grünberg-Str. 2, D-64287, Darmstadt, Germany.
The design of cathode/electrolyte interfaces in high-energy density Li-ion batteries is critical to protect the surface against undesirable oxygen release from the cathodes when batteries are charged to high voltage. However, the involvement of the engineered interface in the cationic and anionic redox reactions associated with (de-)lithiation is often ignored, mostly due to the difficulty to separate these processes from chemical/catalytic reactions at the cathode/electrolyte interface. Here, a new electron energy band diagrams concept is developed that includes the examination of the electrochemical- and ionization- potentials evolution upon batteries cycling.
View Article and Find Full Text PDFSci Rep
December 2024
Corrosion and Surface Engineering CSIR, National Metallurgical Laboratory, Jamshedpur, India.
Chloride-induced corrosion of steel rebars embedded in mortar was effectively controlled by blending of gallic acid in wet mixture. Mixing of optimized concentration of gallic acid (GA) inhibitor (0.125%) in mortars considerably increased the charge transfer resistance of embedded rebars (80.
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