Ab Initio Prediction of the Redox Potentials of 3d Transition Metals Embedded in a Semiconducting Host Lattice
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DOI: 10.1021/acs.jpcc.0c11203
Abstract: Here, we report a theoretical investigation devoted to the ab initio determination of the redox potentials E(Dn+/Dn+1) of a dopant D in a given host lattice. The knowledge of these potentials is of... read more here.
Keywords: host lattice; redox potentials; initio prediction; prediction redox ... See more keywords