Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Qiuping Yang"'
Publikováno v:
The Journal of Physical Chemistry Letters. 12:5850-5856
The design of metal-bearing carbon-based materials with unique structures and intriguing properties is highly desirable in the fields of physics, chemistry, and materials science. Here, within swarm-intelligence structure search and first-principles
Publikováno v:
Physical Review Materials. 5
The oxygenic motifs (e.g., ${\mathrm{O}}^{2--}$, ${{\mathrm{O}}_{2}}^{2\text{--}}$ ${{\mathrm{O}}_{2}}^{2\text{--}}$, and ${{\mathrm{O}}_{2}}^{\text{--}}$) that are present in compounds have a substantial effect on their electronic structure and beha
Autor:
Jian Lv, Yanchao Wang, Shoutao Zhang, Qiuping Yang, Xin Du, Guochun Yang, Qunchao Tong, Aitor Bergara, Yanming Ma
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
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Boron is an intriguing element due to its electron deficiency and the ability to form multicenter bonds in allotropes and borides, exhibiting diversified structures, unique chemical bonds, and interesting properties. Using swarm-intelligence structur
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::12a72d14ccaa7f355b6febff251119ba
http://hdl.handle.net/10261/250362
http://hdl.handle.net/10261/250362
Publikováno v:
The Journal of Chemical Physics. 154:054706
Transition metal nitrides have attracted great interest due to their unique crystal structures and applications. Here, we predict two N-rich iridium nitrides (IrN4 and IrN7) under moderate pressure through first-principles swarm-intelligence structur
Publikováno v:
IOP Conference Series: Earth and Environmental Science. 170:042061