Topic
Chemical binding
About: Chemical binding is a research topic. Over the lifetime, 1822 publications have been published within this topic receiving 52516 citations.
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TL;DR: In this article, an ab initio X1Σg+Be2 ground state potential is determined from all-electron SCF/valence-shell MR-CI calculations which account for core-valence correlation by an effective core polarization potential.
53 citations
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TL;DR: In this paper, a combination of facile chemical binding engineering with a fast electronic/ionic transport construction strategy is firstly proposed to mitigate the poor electrochemical stability of metal nitrides caused by amorphorization and pulverization during a long-term sodiation/desodiation process.
Abstract: Metal nitride-based materials are deemed to be promising anodes for sodium ion batteries (SIBs) due to their attractive electrical conductivity and considerable theoretical capacity. However, the poor electrochemical stability of metal nitrides caused by amorphorization and pulverization during a long-term sodiation/desodiation process limits their practical applications. Herein, a combination of facile chemical binding engineering with a fast electronic/ionic transport construction strategy is firstly proposed to mitigate these problems. As a demonstration, core–shell Fe3N@C nanoparticles are chemically immobilized on three-dimensional N-doped carbon foam (3DNCF) via a straightforward and scalable adsorption–annealing route. Arising from the synergistic effects from strong chemical binding between Fe3N nanoparticles and 3DNCF, fast electronic/ionic transport pathways and a robust carbon coating layer, the flexible and self-supported Fe3N@C/3DNCF anode can maintain highly reversible crystalline-phase transformation without significant pulverization in the whole cycling process when evaluated as an anode for SIBs. As a result, Fe3N@C/3DNCF shows a remarkable capacity retention rate of 94.9% for 2000 cycles at 1.0 A g−1 with a high capacity of 374.8 mA h g−1. This work may provide an alternative strategy to design long-cycle-life conversion-type anodes for SIBs.
53 citations
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TL;DR: In this paper, the effect of Si doping on the structure and mechanical properties of thin HA films was evaluated using nanohardness testing and a scratch test, and the results showed that the addition of Si would affect the mechanical features of the coatings due to microstructure changes.
Abstract: Silicon-doped hydroxyapatite-based (Si-HA) coatings were deposited via radio frequency (RF) magnetron sputtering on the surface of titanium that was treated with a pulsed electron beam. This study aimed to evaluate the effect of Si doping on the structure and mechanical properties of thin HA films. The content of the silicon was 1.2 and 4.6 at.% for the coatings prepared using the Si-HA precursor powders with a chemical formula Ca 10 (PO 4 ) 6 − x (SiO 4 ) x (OH) 2 − x where, x = 0.5 and 1.72. Pure HA (Ca 10 (PO 4 ) 6 (OH) 2 ) coatings were deposited for comparison. The as-deposited films were analysed with respect to their composition, state of chemical binding and microstructure using XPS, FTIR, XRD, and SEM. We hypothesized that the addition of Si would affect the mechanical features of the coatings due to microstructure changes. The effect of the introduction of Si on the nanohardness and the Young's modulus as well as the adhesion strength and scratch resistance of the HA coating was investigated using nanohardness testing and a scratch test, respectively. Examination of the coating microstructure using SEM and AFM revealed that Si doping influenced the surface morphology and led to a smaller grain size. The tendency to form an amorphous structure also increased with an increase in the Si content. A monotonous decrease in both the nanohardness and the elastic modulus was observed with an increase in the Si content. A maximum nanohardness of ~ 7 GPa was obtained for the Si-free HA coating, whereas the hardness decreased to ~ 4.3 GPa for the films with a Si content of 1.2 at.%. The addition of 4.6 at.% Si to the HA coating resulted in a reduction in the elastic modulus, whereas the nanohardness was very similar to that of the uncoated substrate. The adhesion behaviour of the coatings demonstrated different responses. In the case of pure HA coatings, failure occurred due to the low cohesion of the coating, whereas the crystalline Si-HA coatings with a Si content of 1.2 at.% deformed plastically without crack formation and without detaching from the titanium substrate, which resulted in a greater coating stability.
53 citations
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TL;DR: The objective of the present work was to improve ionic liquid (IL) tolerance of cellulase based on the exploration of functional nanoscale carriers for potential application in lignocellulosic biorefinery by PEGylated graphene oxide (GO) composite.
53 citations
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TL;DR: In this article, a three-dimensional ivy-structured MoS2 nanoflakes @ nitrogen doped carbon nanofibers (MoS2@N-CNFs) composite membrane was designed by a combined electrospinning and hydrothermal technique.
53 citations