Pith. Sign in

RECORD

Aluminum doping improves the energetics of lithium, sodium, and magnesium storage in silicon

PaperPDF from arXiv

data files

Paper breakdownThe authors' claims, conditions and measurements, as JSON Signed receiptProof this review has not been altered
X Bluesky LinkedIn Reddit Hacker News
Fleur Legrain, Sergei Manzhos

Materials Science · Submitted 2 Jul 2014

abstract compiled · 2026-09-23 · no language-model review

The authors' main claim Here we show based on density functional theory calculations that Al doping significantly improves the energetics for Na and Mg insertion, specifically, making it thermodynamically favored versus vacuum reference states.

how it is stated · asserted 1.00 read the record →

Comment (0) Read on arXiv ↗
Cite ▾
arXiv ID1407.0545 (version 1)
Pith IDK77CQKCF, Pith's permanent record of this paper and its review
CitationFleur Legrain, Sergei Manzhos. "Aluminum doping improves the energetics of lithium, sodium, and magnesium storage in silicon." arXiv:1407.0545 (2014). https://pith.science/paper/K77CQKCF
Claim paper

The compiled record

The paper's own sentences, arranged. Each label is drawn from a closed vocabulary; the number beside it is the probability the classifier gave that label. Numbers in the tables are the authors', checked by code. No sentence in this record was written by a model.

Open the compiled record

Compiled by classifier-1.13-20260917 via OpenRouter, question bank abstract-p1-20260923, 2026-09-23: 1 request, 4,453 input tokens, $0.0002 reported.

What the abstract itself states, as probabilities: claims first 0.06 · states limitation 0.96 · human participants 0.01 · controlled comparison 0.84 · randomized assignment 0.01 · states quantitative result 0.98 · compares with prior results 0.90 · mentions code or data availability 0.02.

The abstract, sentence by sentence

arXiv listing abstract v1. Results and the main claim are underlined; .

While Si is an effective insertion type anode for Li-ion batteries, crystalline Si has been shown to be unsuitable for Na and Mg storage due, in particular, to insufficient binding strength. It has recently been reported that Si nanowires could be synthesized with high-concentration (several atomic %) and dispersed Al doping. Here we show based on density functional theory calculations that Al doping significantly improves the energetics for Na and Mg insertion, specifically, making it thermodynamically favored versus vacuum reference states. For high Al concentrations, the energy of Mg in Al-doped Si approaches the cohesive energy of Mg. However, the migration barriers for the diffusion of Li (0.57-0.70 eV), Na (1.07-1.19 eV) and Mg (0.97-1.18 eV) in Al-doped Si are found to remain about as high as in pure Si, likely preventing effective electrochemical sodiation and magnesiation.

background contribution method result interpretation main claim

What the classifier reports for each sentence. The number is the probability it gave the label.
#sentencerolethe authors' own workstates the main conclusionstrength
s0 While Si is an effective insertion type anode for Li-ion batteries, crystalline Si has been shown to be unsuitable for Na and Mg storage due, in particular, to insufficient binding strength. background 0.95 0.05 0.03 asserted 1.00
s1 It has recently been reported that Si nanowires could be synthesized with high-concentration (several atomic %) and dispersed Al doping. background 1.00 0.05 0.02 asserted 0.60
s2 Here we show based on density functional theory calculations that Al doping significantly improves the energetics for Na and Mg insertion, specifically, making it thermodynamically favored versus vacuum reference states. contribution 0.52 0.95 0.81 asserted 1.00
s3 For high Al concentrations, the energy of Mg in Al-doped Si approaches the cohesive energy of Mg. result 1.00 0.87 0.12 asserted 1.00
s4 However, the migration barriers for the diffusion of Li (0.57-0.70 eV), Na (1.07-1.19 eV) and Mg (0.97-1.18 eV) in Al-doped Si are found to remain about as high as in pure Si, likely preventing effective electrochemical sodiation and magnesiation. limitation 0.55 0.95 0.31 hedged possibility 0.62

What kind of paper the classifier reports this is: simulation study 1.00 · evidence from simulation or computation 1.00.

What was examined, and what was not

sources read
  • arXiv listing abstract v1
not examined
  • full text
  • figures and tables
  • references and citing sentences
  • relations to other papers
levels run
  • P abstract
not run
  • S sections
  • T body sentences
  • C citations
  • R cross-paper relations

Every quoted sentence on this record is the authors'. Every label is from Pith's closed vocabulary, with the probability shown beside it. Every number in the measurements table is the authors', checked by code. Record as JSON

The paper
Original abstract

While Si is an effective insertion type anode for Li-ion batteries, crystalline Si has been shown to be unsuitable for Na and Mg storage due, in particular, to insufficient binding strength. It has recently been reported that Si nanowires could be synthesized with high-concentration (several atomic %) and dispersed Al doping. Here we show based on density functional theory calculations that Al doping significantly improves the energetics for Na and Mg insertion, specifically, making it thermodynamically favored versus vacuum reference states. For high Al concentrations, the energy of Mg in Al-doped Si approaches the cohesive energy of Mg. However, the migration barriers for the diffusion of Li (0.57-0.70 eV), Na (1.07-1.19 eV) and Mg (0.97-1.18 eV) in Al-doped Si are found to remain about as high as in pure Si, likely preventing effective electrochemical sodiation and magnesiation.

Human review

How Pith checks papers → · Full audit of this paper →

Discussion

Know something about this paper? Leave a comment, or highlight any passage above to comment on it.