High-throughput design of Na–Fe–Mn–O cathodes for Na-ion batteries

Jia, Shipeng; Counsell, Jonathan; Adamič, Michel; Jonderian, Antranik; McCalla, Eric

doi:10.1039/d1ta07940a

Cited by 27 publications

(23 citation statements)

References 66 publications

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“…Li-, Mg-, Al-, Fe-, Co-, Ni-, Zn-, Cu-, and Gadoped samples show very smooth CV curves for the P2 structure, with the main redox Mn 3+ /Mn 4+ peaks located at 2.3 and 2.1 V. In contrast, the Rh-doped P3 sample shows smooth and broad redox Mn 3+ /Mn 4+ peaks at 3.0 and 2.1 V, a characteristic shape of a P3 structure consistent with our previous study. 54 However, P3 materials typically undergo a P3-O3/O3′ structural change, which can result in sluggish Na + transport at higher voltages. 63−66 This is consistent with the fact that the P3 structure has a considerably larger voltage difference (polarization) than the P2 structure, as shown in Figure 6b.…”

Section: Electrochemical Analysismentioning

confidence: 99%

“…Moreover, the voltage profile can also be an indicator of the electrolyte−cathode interphase stability, as shown in previous studies. 54,70 The charge end-point slippage effect can show the irreversible electrolyte consumption by oxidation at highvoltage operation. Mg-, Al-, Co-, and Ni-doped samples exhibit minor slippage effects.…”

Section: Electrochemical Analysismentioning

confidence: 99%

“…However, owing to the lack of rational design for air-stable materials, there are only a few air-stable compositions reported, such as Na 0.66 Ni 0.33 Mn 0.67 O 2 51 and Na(Fe 0.32 Ni 1/3 Mn 1/3 Al 0.01 )O 2 . 53 In a previous study, 54 we used high-throughput methods developed in ref 55 to systematically screen the Na−Fe−Mn-O pseudoternary system. This system showed a large P2 solid solution region with a rich variety of both performance and airstability as the Fe and Na content varied.…”

Section: Introductionmentioning

confidence: 99%

“…In a previous study, we used high-throughput methods developed in ref to systematically screen the Na–Fe–Mn-O pseudoternary system. This system showed a large P2 solid solution region with a rich variety of both performance and air-stability as the Fe and Na content varied.…”

Section: Introductionmentioning

confidence: 99%

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Chemical Speed Dating: The Impact of 52 Dopants in Na–Mn–O Cathodes

et al. 2022

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Na–Mn–O cathodes are very promising for sodium-ion batteries but suffer major setbacks related to long-term cycling and stability in air. With our high-throughput approach, a systematic investigation of 52 different dopants of Na0.66MnO2 from across the periodic table was performed. The chemical composition of Na0.66Mn0.9M0.1O2+δ (M = dopant) is utilized to unravel the impact of dopants on the layered structure and investigate how different dopants influence the battery performance and air and moisture stability. A broad range of doping was possible, with 20 different dopants fully integrating into the Na–Mn–O structures, including several previously unstudied dopants (Si, Sc, Ga, Rb, Rh, Cs, Re, and Tl). This yields high-interest novel cathodes, including a Rb-doped sample with a high specific capacity of 200 mA h g–1, as well as Mo- and Nb-doped samples with excellent capacity retentions of 98% and 100%, respectively, after 10 cycles compared to 92% in undoped Na0.66MnO2. The air and moisture stability of the cathode material is studied systematically, and a number of compositions show ultrahigh stability in air. This systematic approach provides a rapid overview of the benefits of individual dopants and also provides an excellent opportunity to elucidate trends across the periodic table. Significantly, we find that the presence of reversible anionic redox (absent in the undoped samples) correlates remarkably well to the bond valence sum of the dopants, implying that dopants can be used to tune the polarity of M–O bonds and encourage anionic redox behavior. Such “speed dating” reveals fundamental chemical insights and guides further design.

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Section: Electrochemical Analysismentioning

confidence: 99%

Section: Electrochemical Analysismentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Chemical Speed Dating: The Impact of 52 Dopants in Na–Mn–O Cathodes

et al. 2022

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“…The high-throughput electrochemical analysis was performed by the lab-build high-throughput cyclic voltammetry system, which was designed by the Dahn lab [22] and adapted for use with cathode powders by the McCalla lab. [23][24][25] In detail, the custom-designed printed circuit board (PCB) covered with aluminum pads has the capability to test 64 channels simultaneously, as illustrated in Figure S12 (Supporting Information). To prepare the electrodes, about 8 mg of each active material (AM) were weighed out and mixed with a slurry containing 80 µL N-methyl-2-pyrrolidone (NMP) (Alfa Aesar) containing 0.45 mg polyvinylidene fluoride (PVDF) (Kynar 1100), and 1.04 mg carbon black (TIMCAL).…”

Section: Methodsmentioning

confidence: 99%

Accelerated Development of High Voltage Li‐Ion Cathodes

Jonderian

Jia

Yoon

et al. 2022

Advanced Energy Materials

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High voltage cathodes are attractive for high energy density Li‐ion batteries. However, candidates such as LiCoPO4 have presented numerous challenges stemming from poor electronic/ionic conductivities such that typical solutions involving nanosizing result in extremely poor cycling performance. Here, high‐throughput methods are applied to develop near‐micron sized carbon‐coated LiCoPO4 with improved energy density and capacity retention. In total, 1300 materials with 46 different substituents are synthesized and characterized. A number of substituents show greatly improved capacity (e.g., 160 mAh g−1 for 1% indium (In) substitution vs 95 mAh g−1 for the pristine). However, co‐doping is required to improve extended cycling. Li1–3xCo1–2xInxMoxPO4 is found to be particularly effective with dramatically improved cycling (as high as 100% after 10 cycles, vs ≈50% in unsubstituted). While In improves the electronic conductivity of the carbon‐coated materials, molybdenum (Mo) co‐doping gives larger particles. DFT calculations show that Mo impedes the formation of Li/Co antisite defects.

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Internal and External Co‐Engineering of Stable Cathode Interface Improves Cycle Performance of Polymer Sodium Batteries

Zhang

et al. 2023

Adv Funct Materials

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The development of polymer sodium batteries requires cathode materials with stable interfaces to avoid poor interfacial contact and interfacial side reactions during cycling. Here, a co‐engineering strategy is deployed to tailor the cathode internal structure and improve the cathode interface stability through bonding interactions. Internally, the effect of low‐cost Fe substitution in the obtained Na0.67Mn2/3Fe1/3O2 cathode material renders favorable effects in several aspects. First, the increased lattice constant facilitates Na+ intercalation and thereby lowers the diffusion barrier of Na+ ions. Second, it increases the electronic conductivity, thereby improving the reaction reversibility. Third, the MnO bond length is shortened, which alleviates the Jahn‐Taylor effect and improves structural stability. In addition to these internal effects, the FeOB bond interactions due to Fe substitution promote the decomposition of the tris(trimethylsilane)borate additive and the formation of a dense and uniform cathode electrolyte interface film, leading to improved cycling stability. Owing to the co‐engineering of both internal structure and surface modification, the polymer solid‐state sodium battery with a stable interface exhibits a specific capacity of 85.2 mAh g‐1 after 800 cycles at 1 C.

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High-throughput design of Na–Fe–Mn–O cathodes for Na-ion batteries

Abstract: Na-ion batteries are considered to be environmentally favourable alternatives to Li-ion batteries, particularly in the extremely large-scale application of grid storage, given the abundance of Na. However, to date, the...

Cited by 27 publications

References 66 publications

Chemical Speed Dating: The Impact of 52 Dopants in Na–Mn–O Cathodes

Chemical Speed Dating: The Impact of 52 Dopants in Na–Mn–O Cathodes

Accelerated Development of High Voltage Li‐Ion Cathodes

Internal and External Co‐Engineering of Stable Cathode Interface Improves Cycle Performance of Polymer Sodium Batteries

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