2023
DOI: 10.1021/acs.nanolett.3c00656
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Decorating Phosphorus Anode with SnO2 Nanoparticles To Enhance Polyphosphides Chemisorption for High-Performance Lithium-Ion Batteries

Abstract: Phosphorus has been regarded as one of the most promising next-generation lithium-ion battery anode materials, because of its high theoretical specific capacity and safe working potential. However, the shuttle effect and sluggish conversion kinetics hamper its practical application. To overcome these limitations, we decorated SnO 2 nanoparticles at the surface of phosphorus using an electrostatic self-assembly method, in which SnO 2 can participate in the discharge/charge reaction, and the Li 2 O formed can ch… Show more

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Cited by 24 publications
(5 citation statements)
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“…The Gibbs free energy is computable through DFT utilizing the CASTEP software package, as implemented in Materials Studio (Wang et al, 2019;Bouakline et al, 2023;Liu et al, 2023). The calculations employ the Generalized Gradient Approximation (GGA) in conjunction with the Perdew-Burke-Ernzerhof (PBE) pseudopotential for handling exchange-correlation energies.…”
Section: Theoretical Calculationmentioning
confidence: 99%
“…The Gibbs free energy is computable through DFT utilizing the CASTEP software package, as implemented in Materials Studio (Wang et al, 2019;Bouakline et al, 2023;Liu et al, 2023). The calculations employ the Generalized Gradient Approximation (GGA) in conjunction with the Perdew-Burke-Ernzerhof (PBE) pseudopotential for handling exchange-correlation energies.…”
Section: Theoretical Calculationmentioning
confidence: 99%
“…DFT Calculation: All calculations were performed using the Cambridge sequential total energy package (CASTEP) module of Materials Studio software. [44,45] Exchange-correlation functions are depicted by generalized gradient approximation (GGA) with Perdew-Burke-Ernzerhof (PBE) pseudopotentials, with the cutoff energy of 400 eV. All atoms and cell lattice vectors are relaxed with a force tolerance of 0.05 eV Å −1 .…”
Section: Synthesis Of Co-mofmentioning
confidence: 99%
“…5 Liu et al used electrostatic self-assembly to modify SnO 2 nanoparticles on the phosphorus surface to avoid additional particle damage. 12 These improvements play positive roles in enhancing the conductivity, dispersion and reversible capacity of SnO 2 as anode materials. Nevertheless, simply improving the volume expansion drawback of SnO 2 still has some limitations in increasing the cycling stability of anode materials, 13 and it is necessary to consider a holistic approach to overcome the mentioned challenges.…”
Section: Introductionmentioning
confidence: 99%