本文采用水热法制备了MnO/氮掺杂石墨烯复合材料. 作为非水锂空气电池的正极催化剂, 该复合材料表现出了优异的电化学性能以及循环稳定性.; 在充放电电流密度为0.05 mA cm~(-2)时, 其能量效率高达84.6%, 远高于目前文献所报道的非贵金属催化剂的能量效率,; 也超过了基于贵金属的催化剂. 其氧还原反应(ORR)和氧析出反应(OER)的过电势分别仅为0.11和0.41 V.; 扫描电子显微镜(SEM)和透射电子显微镜(TEM)结果表明, 所制备的MnO纳米颗粒能够均匀地分散在氮掺杂石墨烯的表面.; 密度泛函理论(DFT)计算揭示, MnO(100)面是主要的催化活性面, 其理论ORR和OER的过电势分别仅为0.21与0.24 V,; 充放电电势差为0.45 V, 与实验结果0.52 V相当.MnO/nitrogen-doped graphene (MnO/NG) composite cathode was fabricated by; a facile one-pot method as cathode catalyst for non-aqueous lithium; oxygen batteries. It exhibited superior electrochemical performance with; higher round-trip efficiency and better cyclic stability. It showed a; high round-trip efficiency of 84.6% at the current density of 0.05 mA; cm~(-2) with the discharge and charge overpotentials of 0.11 and 0.41 V,; respectively. Through scanning electron microscopy, transmission; electron microscopy and X-ray photoelectron spectroscopy, it was; confirmed that MnO nanoparticles were homogeneously dispersed on NG; surface. The density functional theory calculations demonstrated that; the superior electrochemical performance of MnO/NG might be attribute to; the exposure of stoichiometric MnO (100) surface, with the ORR and OER; overpotential only to be 0.21 and 0.24 V, respectively. The; discharging-charging voltage gap is 0.45 V, in good agreement with the; experimental value of 0.52 V.国家重点基础研究发展计划; 国家自然科学基金; 国家基础科学人才培养基
