Publications by authors named "Guixiao Jia"

Severe capacity/voltage fading still poses substantial obstacles in the commercial applications of Li-rich layered oxides, which stems from the aggregation of LiMnO-like domains and unstable surface structure. Here, we report highly stabilized Co-free LiNiMnO with uniformly dispersed LiMnO-like domains and a protective rock-salt structure shell by reducing the oxygen partial pressure during high-temperature calcination. Experimental characterizations and DFT calculations reveal that the uniformly dispersed and small-sized LiMnO-like domains suppress the peroxidation of lattice oxygen, enabling highly reversible oxygen redox and excellent structural stability.

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High-energy density and low-cost sodium-ion batteries are being sought to meet increasing energy demand. Here, R-MnO is chosen as a cathode material of sodium-ion batteries owing to its low cost and high energy density. The structural transformation from the tunnel R-MnO to the layered NaMnO and electrochemical properties during the charge/discharge are investigated at the atomic level by combining XRD and related electrochemical experiments.

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Due to the high theoretical specific capacity and low cost, FeF·0.33HO has become one of the potential choices of cathode materials for sodium-ion batteries. However, the poor intrinsic conductivity limits its practical applications.

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Owing to their natural abundance, the low potential, and the low cost of potassium, potassium-ion batteries are regarded as one of the alternatives to lithium-ion batteries. In this work, we successfully fabricated a FeP/C composite, a novel electrode material for PIBs, through a simple and productive high-energy ball-milling method. The electrode delivers a reversible capacity of 288.

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High-energy-density and low-cost lithium-ion batteries are sought to meet increasing demand for portable electronics. In this study, a cobalt-free Li(Li Ni Fe Mn )O (LNFMO) cathode material is chosen, owing to the reversible anionic redox couple O /O . The aim is to elucidate the Fe-substitution function and oxygen redox mechanism of experimentally synthesized Li(Li Ni Fe Mn )O by DFT.

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Lithium-rich, Mn-based layered oxides Li MnO -LiMO (M=Ni, Co) have been considered as promising cathode candidates owing to their high capacity. However, the resources shortage and high price of cobalt make it imperious to substitute cobalt with other high-abundance elements. Here, we synthesized a low-cost, cobalt-free, Fe-substituted oxide material, Li(Li Ni Fe Mn )O .

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The directional-curvature theory is developed as a rational basis for the strain energy and the chemical reactivity in single-walled carbon nanotubes (SWCNTs) and fullerenes. The directional curvature KD and its mean KM, derived from this theory, cover the overall curvatures of their bonds and atoms and break through the limitations of the pyramidalized-angle thetap approach, which is only available to atomic curvature. The directional-curvature theory demonstrates that KD and KM depend directly on the strain or reactive binding energies of the bonds and atoms and that there is approximate curvature conservation in SWCNTs and fullerenes.

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