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A theoretical study of aluminium doping in silicon anode based lithium‐ion batteries using ReaxFF molecular dynamics simulation

https://doi.org/10.1002/er.7399
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Li ion diffusivity and electrochemical properties of FePO4 nanoparticles acted directly as cathode materials in lithium ion rechargeable batteries
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Effect of particle size on dc conductivity, activation energy and diffusion coefficient of lithium iron phosphate in Li-ion cells
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Nano- and bulk-silicon-based insertion anodes for lithium-ion secondary cells
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Measurement of the diffusion rate of Li in silicon by the use of bipolar cells
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Li-ion diffusion in amorphous Si films prepared by RF magnetron sputtering: A comparison of using liquid and polymer electrolytes
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Atomistic-scale simulations of chemical reactions: Bridging from quantum chemistry to engineering
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Determination of the diffusion coefficient of lithium ions in nano-Si
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Lithium ion secondary batteries; past 10 years and the future
inferredcites →https://doi.org/10.1016/s0378-7753(02)00707-3openalex-snapshot
Amorphous silicon anode for lithium-ion rechargeable batteries
inferredcites →https://doi.org/10.1016/s0378-7753(99)00194-9openalex-snapshot
Amorphous silicon as a possible anode material for Li-ion batteries
inferredcites →https://doi.org/10.1016/s1359-6454(02)00514-1openalex-snapshot
Electrochemically-driven solid-state amorphization in lithium-silicon alloys and implications for lithium storage
inferredcites →https://doi.org/10.1021/ja00275a013openalex-snapshot
Electronegativity-equalization method for the calculation of atomic charges in molecules
inferredcites →https://doi.org/10.1021/ja3052206openalex-snapshot
High-Capacity Micrometer-Sized Li2S Particles as Cathode Materials for Advanced Rechargeable Lithium-Ion Batteries
inferredcites →https://doi.org/10.1021/jp004368uopenalex-snapshot
ReaxFF: A Reactive Force Field for Hydrocarbons
inferredcites →https://doi.org/10.1021/jp046244dopenalex-snapshot
Development of the ReaxFF Reactive Force Field for Describing Transition Metal Catalyzed Reactions, with Application to the Initial Stages of the Catalytic Formation of Carbon Nanotubes
inferredcites →https://doi.org/10.1021/jp2060602openalex-snapshot
Dopant Modulated Li Insertion in Si for Battery Anodes: Theory and Experiment
inferredcites →https://doi.org/10.1021/jp307221qopenalex-snapshot
Diffusion of Lithium in Bulk Amorphous Silicon: A Theoretical Study
inferredcites →https://doi.org/10.1021/jp411015aopenalex-snapshot
A ReaxFF Investigation of Hydride Formation in Palladium Nanoclusters via Monte Carlo and Molecular Dynamics Simulations
inferredcites →https://doi.org/10.1021/jp901594gopenalex-snapshot
Impedance Analysis of Silicon Nanowire Lithium Ion Battery Anodes
inferredcites →https://doi.org/10.1021/nl100504qopenalex-snapshot
New Nanostructured Li2S/Silicon Rechargeable Battery with High Specific Energy
inferredcites →https://doi.org/10.1021/nl201501sopenalex-snapshot
Lithium-Assisted Plastic Deformation of Silicon Electrodes in Lithium-Ion Batteries: A First-Principles Theoretical Study
inferredcites →https://doi.org/10.1021/nl3014814openalex-snapshot
A Yolk-Shell Design for Stabilized and Scalable Li-Ion Battery Alloy Anodes
inferredcites →https://doi.org/10.1021/nl8036323openalex-snapshot
Crystalline-Amorphous Core−Shell Silicon Nanowires for High Capacity and High Current Battery Electrodes
inferredcites →https://doi.org/10.1021/nl901670topenalex-snapshot
Carbon−Silicon Core−Shell Nanowires as High Capacity Electrode for Lithium Ion Batteries
inferredcites →https://doi.org/10.1021/nl902058copenalex-snapshot
Silicon Nanotube Battery Anodes
inferredcites →https://doi.org/10.1021/nl903183nopenalex-snapshot
Controlling Diffusion of Lithium in Silicon Nanostructures
inferredcites →https://doi.org/10.1021/nl903345fopenalex-snapshot
Si/TiSi2 Heteronanostructures as High-Capacity Anode Material for Li Ion Batteries
inferredcites →https://doi.org/10.1021/nl904132vopenalex-snapshot
Lithium Insertion In Silicon Nanowires: An ab Initio Study
inferredcites →https://doi.org/10.1021/nn2017167openalex-snapshot
Prelithiated Silicon Nanowires as an Anode for Lithium Ion Batteries
inferredcites →https://doi.org/10.1038/nnano.2007.411openalex-snapshot
High-performance lithium battery anodes using silicon nanowires
inferredcites →https://doi.org/10.1038/nnano.2012.35openalex-snapshot
Stable cycling of double-walled silicon nanotube battery anodes through solid–electrolyte interphase control
inferredcites →https://doi.org/10.1039/c0ee00831aopenalex-snapshot
Prospective materials and applications for Li secondary batteries
inferredcites →https://doi.org/10.1039/c4cp04532gopenalex-snapshot
ReaxFF molecular dynamics simulations on lithiated sulfur cathode materials
inferredcites →https://doi.org/10.1051/matecconf/201824515002openalex-snapshot
The simulation model for a flood management by flood control facilities
inferredcites →https://doi.org/10.1063/1.4815820openalex-snapshot
Development of a ReaxFF potential for Pd/O and application to palladium oxide formation
inferredcites →https://doi.org/10.1103/physrevb.42.9458openalex-snapshot
Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films
inferredcites →https://doi.org/10.1103/physrevlett.61.2879openalex-snapshot
Empirical Interatomic Potential for Carbon, with Applications to Amorphous Carbon
inferredcites →https://doi.org/10.1111/j.1551-2916.2011.04432.xopenalex-snapshot
Large Plastic Deformation in High‐Capacity Lithium‐Ion Batteries Caused by Charge and Discharge
inferredcites →https://doi.org/10.1126/science.1212741openalex-snapshot
Electrical Energy Storage for the Grid: A Battery of Choices
inferredcites →https://doi.org/10.1146/annurev-matsci-071312-121610openalex-snapshot
Reactive Potentials for Advanced Atomistic Simulations
inferredcites →https://doi.org/10.1149/1.3111037openalex-snapshot
First Principles Model of Amorphous Silicon Lithiation
inferredcites →https://doi.org/10.1155/2012/480813openalex-snapshot
Thermoelectric Characterization of Electronic Properties of GaMnAs Nanowires

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4704457openalex-extracted
The Effect of Annealing on Promoting the Electrochemical Performance of Al/Si Multilayer Thin Film Anodes
inferred← citeshttps://doi.org/10.1016/j.ceramint.2022.10.311openalex-snapshot
AlSixP: A new family of ternary Si-based anodes for Li-ion batteries with superior Li-storage properties
inferred← citeshttps://doi.org/10.1016/j.cplett.2026.142961openalex-snapshot
Electronic structure engineering of biphenylene by Aluminum doping toward high-capacity Lithium-ion batteries
inferred← citeshttps://doi.org/10.1016/j.jelechem.2024.118304openalex-snapshot
The effect of annealing and multilayer structure on promoting the electrochemical performance of Al/Si thin film anodes
inferred← citeshttps://doi.org/10.1016/j.jpcs.2024.112434openalex-snapshot
DFT and AIMD studies of SnFe2O4 as a promising anode for Li-ion batteries
inferred← citeshttps://doi.org/10.1021/acsami.2c04983openalex-snapshot
Lithium/Boron Co-doped Micrometer SiO x as Promising Anode Materials for High-Energy-Density Li-Ion Batteries
inferred← citeshttps://doi.org/10.1115/1.4071280openalex-snapshot
Agent-Based Modeling: Partitioned Density Analysis of Unidirectional Atomistic Diffusion in Li-Ion Batteries
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