Table 1 Binding energies, bond lengths, heights, and free electron densities of N A  = 12 alkali-adsorbed GNRs with one adatom in a unit cell.

From: Alkali-created rich properties in grapheme nanoribbons: Chemical bondings

N A  = 12

E b (eV)

nearest C-C (Å)

bond length A-C (Å)

height (Å)

λ (107 e/cm)

λ/adatom concentration (e)

Bader charge transfer (e)

Li

−0.75

1.384

2.23

1.75

2.31

0.995

0.75

Na

−0.23

1.377

2.27

2.46

2.35

1.011

0.44

K

−0.39

1.375

3.21

2.81

2.31

0.995

0.45

Rb

−0.68

1.374

3.36

2.96

2.36

1.013

0.47

Cs

−0.59

1.374

3.37

3.06

2.31

0.995

0.54

Back to article page