Herein, we report very large spin polarized thermoelectric figure merit (Z_sT = 20) in the ferromagnetic configuration of a two-probe system formed by a two-dimensional nanosheet of graphitic carbon nitride [g-C₄N₃]. In addition, we observed that the Seebeck coefficient of the system is completely spin polarized in FM configuration. Our non-equilibrium Green's function-based density functional theoretical study reveals that, due to spin flipping of one of the electrodes, this spin dependence of thermoelectric figure merit (Z_sT) vanishes. Interestingly, charge dependent thermoelectric figure of merit (Z_cT = 0.14) is reported to be 10² times lower than that of its spin dependent counterpart in the ferromagnetic configuration. The observed spin polarized thermoelectric feature is attributed to the ferromagnetic ground state of the two-dimensional nanosheet of g-C₄N₃.^. In ferromagnetic configuration, the central molecule favours better charge transport indicating high degree of electrical conductance (G_e), low charge Seebeck coefficient and eventually low Z_cT of the system. However, Z_sT is much higher due to large spin polarized Seebeck coefficient in the spin up channel of the ferromagnetic state. All these observations have been supported by the spin polarized transmission spectra analyses and its slope at Fermi level which establishes the system as spin dependent p-type thermoelectric material with promising Z_sT.

在此，我们报道了由二维石墨纳米碳氮化物[gC ₄ N ₃ ]纳米片形成的双探针系统的铁磁结构中非常大的自旋极化热电图形优点（Z _s T = 20）。此外，我们观察到该系统的塞贝克系数在FM配置中是完全自旋极化的。我们基于非平衡格林函数的密度泛函理论研究表明，由于电极之一的自旋翻转，这种热电图因数（Z _s T）的自旋依赖性消失了。有趣的是，据报道，与电荷有关的热电性能因数（Z _c T = 0.14）为10 ²在铁磁配置中比其自旋相关对应物低两倍。观察到的自旋极化热电特征归因于gC ₄ N ₃二维纳米片的铁磁基态。^。在铁磁构型中，中心分子有利于更好的电荷传输，表明电导率（G _e）高，电荷塞贝克系数低，最终系统的Z _c T低。但是，Z _s由于铁磁态的自旋向上通道中的自旋极化塞贝克系数较大，因此T更高。所有这些观察已经由自旋极化的透射光谱的分析和其在费米能级斜率建立系统作为自旋相关的p型热电材料具有希望的ž支持_小号T.