The nanographene has attracted intensive research interest due to its unique structure and remarkable properties. In the present work, we applied the external electric field (F _± z) to the wing-shaped N-doped nanographene with the bicyclo[2.2.2]-octadiene(BCOD)-bridged bis-hexapyrrolohex-aazacoronene (HPHAC), the BCOD-HPHAC in the direction of the negative and the positive z-axis, respectively. Interestingly, the geometric structures of the BCOD-HPHAC are from patulous to closed under the F _± z, the centrosymmetric symmetry of system is broken. Further, the molecular electrostatic potential (ESP) maps show that the F _± z can effectively regulate the charge distribution of the BCOD-HPHAC. Markedly, the first hyperpolarizabilities (β_tot) are regulated efficiently under the F _± z. Compared with the F_-z, the F_z induces a larger β_tot value of ranging from 2.07 × 10² au (F _± z = 0 au) to 1.01 × 10⁴ au (F_z = 200 × 10⁻⁴ au). Moreover, the evolutions of the absorption spectra can explain well the trend of β_tot values under the F _± z. We hope that the current work can inspire the investigations of the centrosymmetric nanographenes in the field of NLO response controlled by the external electric field.

纳米石墨烯因其独特的结构和卓越的性能而引起了广泛的研究兴趣。在目前的工作中，我们将外部电场（F  _{±  z}）施加到带有双环[2.2.2]-辛二烯（BCOD）桥联双六吡咯六氮杂苯（HPHAC）的翼形N掺杂纳米石墨烯上， BCOD-HPHAC 分别在负 z 轴方向和正 z 轴方向。有趣的是，BCOD-HPHAC的几何结构在F  _{±  z}下由扩展变为闭合，系统的中心对称性被打破。此外，分子静电势 (ESP) 图显示F  _{±  z}可以有效调节BCOD-HPHAC的电荷分布。显然，第一超极化率 ( β _{tot ) 在}F  _{±  z}下得到有效调节。与F _-z相比，F _z引起更大的β _tot值，范围从2.07 × 10 ² au ( F  _{±  z}  = 0 au) 到1.01 × 10 ⁴ au ( F _z  = 200 × 10 ^-4 au)。此外，吸收光谱的演变可以很好地解释F _±条件下β _{tot值的变化趋势。  z}。我们希望当前的工作能够启发中心对称纳米石墨烯在外部电场控制的非线性光学响应领域的研究。