The concept of coupling a nanometer or subnanometer scale oxide phase to a metal surface
to form a metal–oxide hybrid material with novel properties is an attractive approach in the …

Lithium-sulfur batteries show great potential to achieve high-energy-density storage, but
their long-term stability is still limited due to the shuttle effect caused by the dissolution of …

This paper reviews the current progress on searching the Kitaev spin liquid state in 3 d
electron systems. Honeycomb cobaltates were recently proposed as promising candidates …

The ability to determine the electronic structure of catalysts during electrochemical reactions
is highly important for identification of the active sites and the reaction mechanism. Here we …

Catalytic water splitting to hydrogen and oxygen is considered as one of the convenient
routes for the sustainable energy conversion. Bifunctional catalysts for the electrocatalytic …

We study the exchange interactions and resulting magnetic phases in the honeycomb
cobaltates. For a broad range of trigonal crystal fields acting on Co 2+ ions, the low-energy …

We demonstrate how ab initio cluster calculations including the full Coulomb vertex can be
done in the basis of the localized Wannier orbitals which describe the low-energy density …

Using soft x-ray absorption spectroscopy and magnetic circular dichroism at the Co-L 2, 3
edge, we reveal that the spin state transition in LaCoO 3 can be well described by a low-spin …

Depending on the material and edge under consideration, core level spectra manifest
themselves as local excitons with multiplets, edge singularities, resonances, or the local …

We present an extension of the quasiparticle self-consistent GW approximation (QS GW)[T.
Kotani, Phys. Rev. B 76, 165106 (2007) 10.1103/PhysRevB. 76.165106] to include vertex …