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Table 1 The geometry parameters and the binding energy of pristine and modified n-APNRs for n = 9 and 17 are listed with those of 2D structure. The FM configuration is assumed for TM-modified APNRs

From: Electronic Properties of Armchair Black Phosphorene Nanoribbons Edge-Modified by Transition Elements V, Cr, and Mn

  n \( {d}_1^{P-P} \)(Å) \( {d}_2^{P-P} \)(Å) dP − TM (Å)   θ1 (degrees)   θ2 (degrees) Eb (eV)
2D   2.244 2.225 102.10
Pristine n-APNRs 9 2.251 2.253 87.01
17 2.251 2.253 86.96
H-n-APNRs 9 2.263 2.242 102.35 4.154
17 2.262 2.242 102.33 4.154
V-n-APNRs 9 2.329 2.287 2.358 102.72 74.41 3.974
17 2.330 2.290 2.358 102.69 73.98 3.975
Cr-n-APNRs 9 2.276 2.271 2.449 99.96 85.56 4.022
17 2.277 2.271 2.448 100.02 85.58 4.025
Mn-n-APNRs 9 2.326 2.304 2.329 101.47 76.08 3.745
17 2.326 2.303 2.329 101.46 76.13 3.746