Table 3 Bond length parameters (Å) of the AAA-Gr/Al interface structure under different strains.

From: A first principles investigation into the mechanical properties and the strengthening mechanism of the graphene/aluminum interface structure

direction

ε

Gr(0001)

Al(111)

Gr/Al

dC1−C7

dC2−C7

dC7−C8

dC8−C10

dC10−C12

dAl16−Al17

dAl17−Al18

dAl13−Al17

dAl17−C1

dAl17−C7

/

0.00

2.47

1.42

1.42

4.02

4.06

2.85

2.85

2.87

3.98

4.22

Biaxial

0.12

2.76

1.59

1.59

4.34

4.25

3.19

3.19

2.85

4.17

4.45

0.16

2.86

1.65

1.65

4.62

4.49

3.03

4.16

3.10

4.07

4.12

0.18

2.68

1.54

1.79

5.89

4.75

3.87

5.00

2.86

4.62

4.61

x

0.12

2.76

1.54

1.54

4.12

4.21

3.09

3.09

2.88

4.19

4.34

0.24

3.06

1.71

1.66

4.39

4.40

2.87

3.08

5.02

4.55

4.57

0.28

3.15

1.72

1.74

4.49

4.50

2.74

2.93

2.92

5.05

4.93

y

0.12

2.42

1.44

1.44

4.12

4.19

2.90

2.90

4.96

4.11

4.41

0.16

2.42

1.44

1.44

4.16

4.23

2.93

2.93

4.98

4.16

4.49

0.28

2.43

1.39

1.39

4.50

4.35

3.04

3.05

5.10

4.07

4.57

Back to article page