Revealing unusual rigid diamond net analogues in superhard titanium carbides

Выявление необычных жестких аналогов алмазной сетки в сверхтвердых карбидах титана
Chunhong Xu, Kuo Bao, Shuailing Ma, Da Li, Defang Duan, Hongyu Yu, Xilian Jin, Fubo Tian, Bingbing Liu, Tian Cui
2018-01-01

chemical bondingelectronic structuremechanical hardnessrigid diamond net analoguessuperhard titanium carbides
s (TM = V, Zr, Nb, Hf and Ta). Interactions between layers were revealed to be the source of the great mechanical properties and high hardness through combining detailed analyses of electronic structure and chemical bonding, namely, weak ionic interactions of neighboring Ti- and C-layers and the strong covalent interactions of C- and C-layers.
1
Electronic-structure and chemical-bonding analyses reveal how the distinct interlayer interactions stabilize and strengthen these carbides.
2
The exceptional mechanical properties and high hardness originate from interactions between atomic layers.
3
Unusual rigid diamond-net analogues were identified in superhard titanium carbides.
4
Weak ionic interactions occur between neighboring titanium and carbon layers, while strong covalent interactions connect carbon layers.

superhard titanium carbides with unusual rigid diamond-net analogue structures

the relationship between interlayer electronic interactions and the mechanical properties and hardness of the carbides, including weak ionic Ti–C-layer interactions and strong covalent C–C-layer interactions

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2018-01-01
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Chunhong Xu
Kuo Bao
Shuailing Ma
Da Li
Defang Duan
Hongyu Yu
Xilian Jin
Fubo Tian
Bingbing Liu
Tian Cui
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