Table 1 The amounts of cohesive energy (eV) for \(C_{20-n}X_n\) (n = 1, 2, and 3; X = B, N, and P).

From: DFT study on CO2 capture using boron, nitrogen, and phosphorus-doped C20 in the presence of an electric field

 

X = B

X = N

X = P

\(\hbox {C}_{19}\hbox {X}\)

7.780

7.805

7.685

\({\hbox {C}_{18}\hbox {X}_{2}}\)-1

7.652

7.720

7.550

\({\hbox {C}_{18}\hbox {X}_{2}}\)-2

7.684

7.727

7.615

\({\hbox {C}_{17}\hbox {X}_{3}}\)-1

7.460

7.619

7.476

\({\hbox {C}_{17}\hbox {X}_{3}}\)-2

7.479

7.617

 
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