Applied Surface Science ( IF 6.3 ) Pub Date : 2022-05-02 , DOI: 10.1016/j.apsusc.2022.153532
Chao Zhang 1, 2, 3 , Ying Liu 1 , Jinming Wang 1 , Weiping Li 1 , Yilin Wang 1 , Guohui Qin 1 , Zhiguo Lv 1
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A fencelike Co3O4@MoO3 was fabricated successfully via solvent etching strategy for enhanced electrocatalytic hydrogen evolution reaction (HER). Benefiting from the excellent synergistic effect between Co3O4 and MoO3, fencelike Co3O4@MoO3 exhibited enhanced HER performance of low overpotential (158 mV at 10 mA cm−2) and small Tafel slope (148 mV dec−1), thereby indicating the higher intrinsic catalytic kinetics in fencelike Co3O4@MoO3. From DFT results, the high electrocatalytic HER performance was attributed to the excellent electronic regulation of Co3O4. Simultaneously, MoO3 could serve as electron transport medium and thus migrate the electron transfer trend of Co3O4 → MoO3 → H2O. Therefore, an electron-rich region around H2O was formed due to electrons accumulation, facilitating the decomposition of H2O. Furthermore, Co3O4@MoO3 showed a more negative EH2O* (−4.94 eV) than that of Co3O4 (6.09 eV) and MoO3 (1.72 eV). Besides, the d orbital center of Co atom displayed a positive shift from −1.27 to −1.22 eV, demonstrating that Co could directly facilitate the activization and decomposition of H2O. What’s more, after introducing Co3O4 in MoO3, the H-O bond of H2O was extended from 0.989 to 0.990 Å, which directly confirmed that the synergistic effect between Co3O4 and MoO3 could facilitate H-O bond breaking.
中文翻译:

一种精心设计的栅栏状 Co3O4@MoO3 衍生自 Co 泡沫,用于增强电催化 HER
通过溶剂蚀刻策略成功地制造了栅栏状的 Co 3 O 4 @MoO 3以增强电催化析氢反应 (HER)。受益于 Co 3 O 4和 MoO 3之间出色的协同效应,栅栏状 Co 3 O 4 @MoO 3表现出增强的 HER 性能,即低过电位(10 mA cm -2时为 158 mV )和小 Tafel 斜率(148 mV dec -1 ),从而表明栅栏状 Co 3 O 4 @MoO 3具有更高的内在催化动力学. 从DFT结果来看,高电催化HER性能归因于Co 3 O 4的优异电子调节。同时,MoO 3可以作为电子传输介质,从而迁移Co 3 O 4 → MoO 3 → H 2 O的电子转移趋势。因此,由于电子积累,在H 2 O周围形成了富电子区域,有利于H 2 O 的分解。此外,Co 3 O 4 @MoO 3显示出比 Co 3 O 4更负的 E H2O* (-4.94 eV)(6.09 eV) 和 MoO 3 (1.72 eV)。此外,Co原子的d轨道中心从-1.27 eV变为-1.22 eV,表明Co可以直接促进H 2 O的活化和分解。此外,在MoO 3中引入Co 3 O 4后, H 2 O的HO键从0.989延伸到0.990 Å,这直接证实了Co 3 O 4和MoO 3的协同作用可以促进HO键断裂。