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
Structural analysis of biological targets by host:guest crystal lattice engineering
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DOI: 10.1038/s41598-019-51017-y
Abstract: To overcome the laborious identification of crystallisation conditions for protein X-ray crystallography, we developed a method where the examined protein is immobilised as a guest molecule in a universal host lattice. We applied crystal engineering… read more here.
Keywords: engineering; crystal lattice; analysis biological; host lattice ... See more keywords
Electronic structure and magnetism of SrTi1-xMnxO3 ceramics
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DOI: 10.1063/1.5050839
Abstract: Having reviewed the previous studies on Mn-doped SrTiO3 materials, we found that Mn2+ and/or Mn4+ ions are usually present in the SrTiO3 host lattice and lead to paramagnetic, spin-glass, or ferromagnetic (FM) behavior. Mn2+ can… read more here.
Keywords: srtio3 host; xmnxo3 ceramics; srti1 xmnxo3; host lattice ... See more keywords