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Table 1 Calculated data of (5,5) SWNT, cumulene, and polyyne

From: A one-dimensional extremely covalent material: monatomic carbon linear chain

 

Diamond

Graphene

(5,5) SWNT

Cumulene

Polyyne

Bond length (nm)

0.154

0.142

0.1419

0.1264/0.1476

0.1404

Gibbs free energy (KJ/mol)

-

-

-4,502.4

-19,678.2

-14,777.9

Density (g/cm3)

3.52

2.23

1.58

1.24

1.28

Young's modulus (TPa)

1.050

-

0.805

0.760

1.304

Specific heat capacity (J/g·K) (300 K)

-

-

0.174

1.307

1.162

Bandgap (eV)

5.450

0.000

0.000

1.859

0.000

Electron mobility (cm2/V·s)

2200

200,000

100,000

Very high?

Highest?

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