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The reversible lithiation of SnO: a three-phase process
Materials Science · Submitted 4 Feb 2015
abstract compiled · 2026-09-23 · no language-model review
The authors' main claim The model suggests that the grain structure has to remain layered to sustain its reversible capacity and a thin-film design of battery anodes could be a remedy for the capacity loss.
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The abstract, sentence by sentence
A high reversible capacity is a key feature for any rechargeable battery. In the lithium-ion battery technology, tin-oxide anodes do fulfill this requirement, but a fast loss of capacity hinders a full commercialization. Using first-principles calculations, we propose a microscopic model that sheds light on the reversible lithiation/delithiation of SnO and reveals that a sintering of Sn causes a strong degradation of SnO-based anodes. When the initial irreversible transformation ends, active anode grains consist of Li-oxide layers separated by Sn bilayers. During the following reversible lithiation, the Li-oxide undergoes two phase transformations that give rise to a Li-enrichment of the oxide and the formation of a layered SnLi composite. We find that the model-predicted anode volume expansion and voltage profile agree well with experiment, and a layered anode grain is highly-conductive and has a theoretical reversible capacity of 4.5 Li atoms per a SnO host unit. The model suggests that the grain structure has to remain layered to sustain its reversible capacity and a thin-film design of battery anodes could be a remedy for the capacity loss.
background contribution method result interpretation main claim
| # | sentence | role | the authors' own work | states the main conclusion | strength |
|---|---|---|---|---|---|
| s0 | A high reversible capacity is a key feature for any rechargeable battery. | background 1.00 | 0.04 | 0.02 | asserted 1.00 |
| s1 | In the lithium-ion battery technology, tin-oxide anodes do fulfill this requirement, but a fast loss of capacity hinders a full commercialization. | background 0.92 | 0.06 | 0.03 | asserted 1.00 |
| s2 | Using first-principles calculations, we propose a microscopic model that sheds light on the reversible lithiation/delithiation of SnO and reveals that a sintering of Sn causes a strong degradation of SnO-based anodes. | contribution 0.98 | 0.95 | 0.63 | asserted 0.78 |
| s3 | When the initial irreversible transformation ends, active anode grains consist of Li-oxide layers separated by Sn bilayers. | result 1.00 | 0.75 | 0.08 | asserted 1.00 |
| s4 | During the following reversible lithiation, the Li-oxide undergoes two phase transformations that give rise to a Li-enrichment of the oxide and the formation of a layered SnLi composite. | result 0.98 | 0.76 | 0.11 | asserted 1.00 |
| s5 | We find that the model-predicted anode volume expansion and voltage profile agree well with experiment, and a layered anode grain is highly-conductive and has a theoretical reversible capacity of 4.5 Li atoms per a SnO host unit. | result 1.00 | 0.95 | 0.18 | asserted 1.00 |
| s6 | The model suggests that the grain structure has to remain layered to sustain its reversible capacity and a thin-film design of battery anodes could be a remedy for the capacity loss. | interpretation 0.55 | 0.68 | 0.66 | hedged possibility 1.00 |
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The paper
Original abstract
A high reversible capacity is a key feature for any rechargeable battery. In the lithium-ion battery technology, tin-oxide anodes do fulfill this requirement, but a fast loss of capacity hinders a full commercialization. Using first-principles calculations, we propose a microscopic model that sheds light on the reversible lithiation/delithiation of SnO and reveals that a sintering of Sn causes a strong degradation of SnO-based anodes. When the initial irreversible transformation ends, active anode grains consist of Li-oxide layers separated by Sn bilayers. During the following reversible lithiation, the Li-oxide undergoes two phase transformations that give rise to a Li-enrichment of the oxide and the formation of a layered SnLi composite. We find that the model-predicted anode volume expansion and voltage profile agree well with experiment, and a layered anode grain is highly-conductive and has a theoretical reversible capacity of 4.5 Li atoms per a SnO host unit. The model suggests that the grain structure has to remain layered to sustain its reversible capacity and a thin-film design of battery anodes could be a remedy for the capacity loss.
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