Ab initio thermodynamic study on two-dimensional atomic nucleation on ZnO polar surfaces
Sign Up to like & getrecommendations! Published in 2017 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2017.02.237
Abstract: Abstract Structures of the two-dimensional atomic nuclei on ZnO (0001)-Zn and ( 000 1 ¯ )-O polar surfaces were studied by first principles density functional theory. The polarity-dependent nucleation dynamics was investigated by simulating two-dimensional… read more here.
Keywords: polar surfaces; surface; zno; dimensional atomic ... See more keywords
Why Are Polar Surfaces of ZnO Stable
Sign Up to like & getrecommendations! Published in 2017 at "Chemistry of Materials"
DOI: 10.1021/acs.chemmater.7b01487
Abstract: We probe and rationalize the complex surface chemistry of wurtzite ZnO by employing interatomic potential calculations coupled with a Monte Carlo procedure that sampled over 0.5 million local minima. We analyze the structure and stability… read more here.
Keywords: polar surfaces; zno stable; surface; chemistry ... See more keywords
The study of magnetic and electronic properties of Ni doped ZnO in low dimensional polar and non-polar surfaces structure by density functional theory
Sign Up to like & getrecommendations! Published in 2019 at "Integrated Ferroelectrics"
DOI: 10.1080/10584587.2019.1570034
Abstract: Abstract The study of ZnO nanostructures is interested because the various types of nanostructures can be easily fabricated. However, the magnetic ground state of Ni-doped ZnO nanostructures can either be ferromagnetic or antiferromagnetic. Therefore, this… read more here.
Keywords: polar non; polar surfaces; low dimensional; non polar ... See more keywords