Dataset - B2FIND

Finite-size corrections of defect energy levels involving ionic polarization

We develop a scheme for finite-size corrections of vertical transition energies and single-particle energy levels involving defect states with built-in ionic polarization in...
Unraveling the synergy between metal-organic frameworks and co-catalysts in p...

We investigate the synergy occurring in photocatalytic water splitting between the metal-organic framework MIL-125-NH2 and two co-catalysts, namely NiO and Ni2P, by calculating...

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2 datasets found