儘管鋸齒狀石墨烯納米帶（ZGNRs）通常呈現金屬相，但具有周期性空缺的 ZGNRs導致了亞能帶和能隙的產生。因此，探索它們的熱電性質變得至關重要。利用緊束縛模型和 Green′s 函數技術，我們從理論上研究了具有周期性空缺的 ZGNRs 的熱電效應。空缺的大小和位置影響了亞能帶的寬度和能隙的大小，為優化與金屬電極的接觸性提供了途徑。在室溫下，具有周期性小空缺的 ZGNRs 的最大功率因數（PF）可達到一維系統理論限制值的84%。;Although zigzag graphene nanoribbons (ZGNRs) typically exhibit metallic phases, those with periodic vacancies introduce subbands and band gaps. Hence, exploring their thermoelectric properties becomes imperative. Utilizing the tight-binding model and Green’s function technique, we theoretically investigate the thermoelectric effects of ZGNRs featuring periodic vacancies. The widths of subbands and magnitudes of gaps are influenced by the sizes and positions of vacancies, offering avenues for optimizing contact properties with metallic electrodes. At room temperature, the maximum power factor (PF) achievable by ZGNRs with periodic vacancies can reach 84% of the theoretical limit for one-dimensional systems.
