Electronic structure and structural defects in 3d-metal doped In2O3
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Materials Science: Materials in Electronics"
DOI: 10.1007/s10854-019-01775-2
Abstract: Dilute magnetic semiconductors (DMSs) are a highly attractive field of research due to their potential to open new technological functionality. Here, we perform a systematic study of In2O3 thin films with dopant ions of Mn,… read more here.
Keywords: defects metal; structure structural; electronic structure; metal doped ... See more keywords
Using water adsorption measurements to access the chemistry of defects in the metal–organic framework UiO-66
Sign Up to like & getrecommendations! Published in 2017 at "CrystEngComm"
DOI: 10.1039/c7ce00224f
Abstract: Tailoring defects in metal–organic frameworks is important for enhancing sorption and reaction properties. Defects in UiO-66 have been characterized for the first time by using water adsorption measurements. We found that the defect-induced hydrophilicity, quantitatively… read more here.
Keywords: defects metal; water; chemistry; metal organic ... See more keywords
Dissolving uptake-hindering surface defects in metal–organic frameworks† †Electronic supplementary information (ESI) available: Synthesis, uptake and XPS data. See DOI: 10.1039/c8sc03735c
Sign Up to like & getrecommendations! Published in 2019 at "Chemical Science"
DOI: 10.1039/c8sc03735c
Abstract: Performance-limiting surface defects in metal–organic frameworks caused by exposure to a humid environment can be dissolved by exposure to ethanol. read more here.
Keywords: defects metal; surface defects; metal organic; dissolving uptake ... See more keywords
First-principles calculations of defects in metal halide perovskites: A performance comparison of density functionals
Sign Up to like & getrecommendations! Published in 2021 at "Physical Review Materials"
DOI: 10.1103/physrevmaterials.5.125408
Abstract: Haibo Xue, 2 Geert Brocks, 2, 3 and Shuxia Tao 2, ∗ Materials Simulation and Modelling, Department of Applied Physics, Eindhoven University of Technology, P.O. Box 513, 5600MB Eindhoven, the Netherlands. Center for Computational Energy… read more here.
Keywords: metal halide; principles calculations; calculations defects; physics ... See more keywords