Interfacial electronic structure modulation of CoP nanowires with FeP nanosheets for enhanced hydrogen evolution under alkaline water/seawater electrolytes

• Published in: Applied catalysis. B, Environmental Environmental, 2022-11, Vol.317, p.121799, Article 121799
• Main Authors: Lyu, Chaojie, Cheng, Jiarun, Wu, Kaili, Wu, Jiwen, Wang, Ning, Guo, Zhonglu, Hu, Pengfei, Lau, Woon-Ming, Zheng, Jinlong
• Format: Article
• Language: English
• Subjects: Density functional theory (DFT) calculation; Electronic structure modulation; Hydrogen evolution reaction (HER); Interface engineering; Overall water splitting
• ISSN: 0926-3373; 1873-3883
• DOI: 10.1016/j.apcatb.2022.121799

Interface engineering is an effective strategy to regulate surface properties and improve the catalytic activities of materials. Here we develop an interface engineered core-shell structure FeP@CoP catalyst, which only requires 50 mV to realize current density of 10 mA/cm2 with a low Tafel slope of 51.1 mV/dec in 1 M KOH. Density functional theory (DFT) simulations indicate the FeP@CoP interface exhibits optimal H* adsorption energy (0.06 eV) compared with pure-phased CoP (0.26 eV) and pure-phased FeP (−0.18 eV), which is attributed to the significantly electronic structure modulation of Fe and Co atoms at the interface domain. Furthermore, the assembled NiFe LDH@Co3O4/NF||FeP@CoP/NF electrolyzer only demands the voltages of 1.50 and 1.70 V to achieve 10 and 100 mA/cm2 under 1 M KOH. The electrolyzer also exhibits considerable catalytic performance in alkaline seawater electrolyte. What's more, it also can be driven by a commercial Si solar panel under AM 1.5 G 100 mW/cm2 illumination. The regulation of interface-effect paves a novel avenue for constructing high-performance catalysts for hydrogen production. [Display omitted] •Core-shell FeP@CoP heterostructure was prepared by one-step phosphorization.•Strong interaction regulates the electronic structure of FeP@CoP interface domain.•Interface effect optimizes the H* adsorbed energy and enhances catalytic activity.•Interface-boosted FeP@CoP exhibits superior HER activity in alkaline electrolyte.•Assembled electrolyzer displays excellent performance in seawater electrolyte.