Tuning graphene doping by carbon monoxide intercalation at the Ni(111) interface
Sign Up to like & getrecommendations! Published in 2021 at "Carbon"
DOI: 10.1016/j.carbon.2021.01.120
Abstract: Abstract Under near-ambient pressure conditions, carbon monoxide molecules intercalate underneath an epitaxial graphene monolayer grown on Ni(111), getting trapped into the confined region at the interface. On the basis of ab-initio density functional theory calculations,… read more here.
Keywords: monoxide; carbon monoxide; graphene doping; 111 interface ... See more keywords
Insight into the structure stability and bonding nature of HfB2(0001)/SiC(111) interface: A first-principles study
Sign Up to like & getrecommendations! Published in 2020 at "Ceramics International"
DOI: 10.1016/j.ceramint.2020.10.010
Abstract: Abstract The properties of HfB2(0001)/SiC(111) interface, including adhesion energy, interfacial energy and electronic structure, were performed based on density functional theory. Ten interface configurations with different terminations (Hf- and B- for HfB2(0001); Si- and C-… read more here.
Keywords: 0001 sic; structure; hfb2 0001; sic 111 ... See more keywords
Atomic structure and properties of a perovskite/spinel (111) interface
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DOI: 10.1103/physrevb.102.165302
Abstract: Perovskite and spinel structures are widely found in ferroelectric and magnetic oxides, respectively, making their combination important for multiferroic composites. In this study, the (111) interface between perovskite-type $\mathrm{Bi}\mathrm{Fe}{\mathrm{O}}_{3}$ and spinel-type $\mathrm{Ni}{\mathrm{Fe}}_{2}{\mathrm{O}}_{4}$, has been systematically… read more here.
Keywords: mathrm mathrm; mathrm; atomic structure; perovskite spinel ... See more keywords
Manipulating the polar mismatch at the LaNi O 3 /SrTi O 3 (111) interface
Sign Up to like & getrecommendations! Published in 2017 at "Physical Review B"
DOI: 10.1103/physrevb.95.165434
Abstract: Heteroepitaxial growth of transition-metal oxide films on the open (111) surface of SrTiO3 results in significant restructuring due to the polar mismatch. Monitoring the structural and composition on an atomic scale of LaNiO3/SrTiO3 (111) interface… read more here.
Keywords: manipulating polar; spectroscopy; 111 interface; polar mismatch ... See more keywords