光催化
铂金
密度泛函理论
再分配(选举)
金属
吸附
材料科学
电子转移
兴奋剂
光化学
化学物理
化学
物理化学
计算化学
催化作用
光电子学
冶金
有机化学
政治
政治学
法学
作者
Guangmin Ren,Meng Shi,Zizhen Li,Zisheng Zhang,Xiangchao Meng
标识
DOI:10.1016/j.apcatb.2023.122462
摘要
Designing atomic-scale catalytic sites to facilitate N2 adsorption and transport of photogenerated electrons to the target active sites offers new opportunities to achieve highly-efficiently photocatalytic N2 reduction reactions. Herein, Pt was photodeposited on BiOBr along with formation of oxygen vacancies (OVs) under ultraviolet light. The modulation of chemical states of Pt and the formation of electron metal-support interactions (EMSI) between BOB and Pt facilitated the charge transfer between the modifiers (i.e. Pt and OVs) and the support (i.e. BiOBr). The production rate of ammonia on Pt and OVs co-modified BiOBr reached 23.8 μmol g−1 h−1, which was much higher than that either on OVs-BiOBr or pristine BiOBr. Density functional theory (DFT) calculations showed that EMSI effect led to a significant charge redistribution between Pt and BOBr carriers, whereby Pt doping could significantly reduce energy barrier of N2 hydrogenation process to facilitate photocatalytic N2 reduction.
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