2023
DOI: 10.1016/j.comptc.2023.114029
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The influence of Cl doping on the structural, electronic properties and Li-ion migration of LiFePO4: A DFT study

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Cited by 16 publications
(1 citation statement)
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“…The potential difference (ΔE), defined as the difference between the peak oxidation voltage and the peak reduction voltage, provides crucial insights into electrode polarization and the reversibility of redox reactions in materials [ 49 ]. A lower ΔE value indicates a lower polarization degree of the electrode reaction and faster Li + transfer during cycling, thereby improving stability and reversibility [ 50 ]. Therefore, it can be concluded that LFP/C–F 3 and LFP/C–Nb 1 possess superior structural stability and phase transition reversibility [ 51 , 52 ], with their ΔE values in the first cycle (0.199 V and 0.227 V, respectively) being lower than both LFP/C–Mn 3 and the undoped LFP/C (0.253V and 0.323 V, respectively).…”
Section: Resultsmentioning
confidence: 99%
“…The potential difference (ΔE), defined as the difference between the peak oxidation voltage and the peak reduction voltage, provides crucial insights into electrode polarization and the reversibility of redox reactions in materials [ 49 ]. A lower ΔE value indicates a lower polarization degree of the electrode reaction and faster Li + transfer during cycling, thereby improving stability and reversibility [ 50 ]. Therefore, it can be concluded that LFP/C–F 3 and LFP/C–Nb 1 possess superior structural stability and phase transition reversibility [ 51 , 52 ], with their ΔE values in the first cycle (0.199 V and 0.227 V, respectively) being lower than both LFP/C–Mn 3 and the undoped LFP/C (0.253V and 0.323 V, respectively).…”
Section: Resultsmentioning
confidence: 99%