Ca extraction from post-spinel CaV2O4 is kinetically limited to at most half theoretical capacity at 298 K by high Ca migration barriers in the ordered γ phase and a persistent γ–δ two-phase region.
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.Physical Review B, 54(16):11169
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A medium-throughput DFT workflow identifies 135 altermagnets with symmetry-allowed topological transport, highlighting VNb3S6, CaIrO3, and CuFeS2 as high-performance candidates.
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Phase stability and ionic transport in post-spinel CaV$_2$O$_4$ cathode
Ca extraction from post-spinel CaV2O4 is kinetically limited to at most half theoretical capacity at 298 K by high Ca migration barriers in the ordered γ phase and a persistent γ–δ two-phase region.
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Medium-Throughput Evaluation of Quantum Geometry-Driven Topological Transports in Altermagnets
A medium-throughput DFT workflow identifies 135 altermagnets with symmetry-allowed topological transport, highlighting VNb3S6, CaIrO3, and CuFeS2 as high-performance candidates.