Ballistic resistance of twisted bilayer graphene with interlayer sp3-bonding on SiC substrate

Computational Materials Science(2022)

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Abstract
(a) Top view of stress distribution in diamond-like TBG coating (upper) and 4H-SiC substrate (lower) at time t = 1.3 ps, when the longitude wave in diamond-like TBG (marked with a black dashed line) is reflected by the fixed boundary. (b) Cross-sectional view of diamond-like TBG/SiC laminate successfully intercepting the projectile with an incident velocity of 3 km/s, accompanied by the propagations of longitude and kink/cone waves (folding appears in the front of cone wave). The atomic velocities (left) and stresses (right) are displayed by contour scales. (c) Fraction of sp3-hybridized interlayer-bonded C atoms fsp3/specific penetration energy Ep* varying with twist angle θ for SiC coated by diamond-like structures with AA-stacking at θ = 0°, AB-stacking at θ = 60° and mixed AA- and AB-stacking at 0° < θ ≤ 16° (the transition region is in SP-stacking, see (a)), when the interlayer spacing δ and temperature T are fixed to 1.54 Å and 300 K, respectively. (d) The fsp3/Ep* of diamond-like structure/SiC laminate varying with interlayer spacing δ when the twist angle θ and temperature T are fixed to 0.7° and 300 K, respectively.
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Key words
Bilayer graphene,Twist angle,Interlayer spacing,sp3-bonding,Dynamic impact
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