Types

Systems

Formation energy of heterojunction CNTs

Mono-vacancy defect

B-doped defect

V₁

V₂

B₁

B₂

Armchiar-armchair heterojunction CNTs

(4,4)-(6,6)

5.35

6.46

5.67

5.61

(4,4)-(7,7)

4.25

6.76

5.61

5.37

(6,6)-(7,7)

5.68

6.64

5.83

5.72

Zigzag-armchair heterojunction CNTs

(7,0)-(6,6)

5.75

4.54

5.44

5.14

(7,0)-(7,7)

5.68

4.68

6.46

5.70

(9,0)-(7,7)

5.66

4.83

5.57

5.40

Zigzag-zigzag heterojunction CNTs

(5,0)-(7,0)

6.06

4.53

6.69

6.40

(5,0)-(9,0)

6.38

4.49

6.89

6.15

(7,0)-(9,0)

7.13

5.42

7.44

7.11