Designing a 3D framework NaVOPO4 as a high-power, low-strain and long-life positive electrode material for Na-ion batteries
S Shraer, A Dembitskiy, I Trussov, A Komayko, D Aksyonov, N Luchinin, A Morozov, S Pollastri, G Aquilanti, S Ryazantsev, V Nikitina, A Abakumov, E Antipov, S Fedotov
In this paper, we offer a new NaVOPO4 polymorph adopting a KTiOPO4-type framework as a promising high-rate, low-strain and long-life positive electrode material for sodium-ion batteries. A carbon-coated NaVOPO4 demonstrates a specific capacity of ∼110 mAh g–1 at a C/10 rate at an average potential of ∼3.93 V vs. Na+/Na. The material maintains over 74 % of the initial capacity after 1000 cycles at a C/2 rate and around 87% at a 2C charge/discharge rate. Diffusion coefficients of 10–11 cm2 s–1 and DFT-calculated energy barriers of ∼0.15–0.35 eV indicate fast Na+ ion diffusion. Moreover, the operando XRD analysis coupled with DFT elucidates several phase transitions with a low volume variation of 2.4% in total, highlighting the reversibility and structural stability during Na+ de/insertion. Overall, NaVOPO4 exhibits attractive electrochemical performance and stability, making it a potential candidate for sodium-ion battery cathode materials.
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Fermi Arcs Conductivity of Weyl and Dirac Semimetals
Sergey Savrasov
We invite you to participate in our Computational Materials Science seminar. Sergey Savrasov will give a talk about the condutivity of Weyl and Dirac semimetals. The meeting will be held on March 21st at 11 a.m. (Msk) in online format.
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Effect of the Cu additives on strain-induced coarsening of the Laves phase in Re-containing 10% Cr–3% Co martensitic steels
A Fedoseeva, A Klauz, N Iskandarov, A Boev, D Aksyonov, R Kaibyshev
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The rise of intrinsic magnetic topological insulators
Mikhail M. Otrokov
We invite you to participate in our Computational Materials Science seminar. Dr. Mikhail Otrokov will overview about magnetic topological insulators. The meeting will be held February 15th in online format.
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Nickel as a key element in the future energy
A A Savina, A O Boev, E D Orlova, A V Morozov, A M Abakumov
https://doi.org/10.59761/RCR5086
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