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Table 1 Diameter, bond length, and binding energy for different BNNTs

From: Tuning the electronic properties of boron nitride nanotube by mechanical uni-axial deformation: a DFT study

Nanotube and stoichiometry

Tube diameter

Bond length distribution (Å)

Binding energy (eV/each atom)

  

Type I

Type II

 

BNNT (4,4)

5.657

1.461

1.456

6.361

 

5.49a

1.440b

1.444b

 

BNNT (5,5)

7.043

1.457

1.455

6.422

 

6.87a

1.439b

1.442b

 

BNNT (6,6)

8.43

1.462

1.458

6.457

 

8.23a

1.439b

1.440b

 

BNNT (7,7)

9.49

1.462

1.459

6.476

 

9.59a

1.438b

1.439b

 

BNNT (8,8)

11.21

1.459

1.457

6.490

 

10.95a

1.439b

1.439b

 

BNNT (4,0)

3.556

1.499

1.439

6.187

 

3.35a

1.476b

1.423b

 

BNNT (5,0)

4.191

1.473

1.442

6.371

 

4.08a

1.460b

1.429b

 

BNNT (8,0)

6.263

1.460

1.454

6.606

 

6.37a

1.445b

1.434b

 
  1. aFrom Ref. [20]; bfrom Ref. [40].

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