文献类型：期刊文献

英文题名：Fe doping promotes water splitting activity of nickel-based catalysts in steam reforming of tar model compound

作者：An, Tingwei Zhang, Zixuan Ren, Xu Wang, Keliang Li, Ziwei Li, Min

第一作者：An, Tingwei

通信作者：Li, ZW[1];Li, M[2]

机构：[1]Guizhou Univ, North Alabama Int Coll Engn & Technol, Sch Chem & Chem Engn, Guiyang 550025, Peoples R China;[2]Guizhou Inst Technol, Sch Civil Engn, Guiyang 550003, Peoples R China;[3]Liupanshui Normal Univ, Sch Chem & Mat Engn, Liupanshui 553004, Peoples R China

第一机构：Guizhou Univ, North Alabama Int Coll Engn & Technol, Sch Chem & Chem Engn, Guiyang 550025, Peoples R China

通信机构：corresponding author), Guizhou Univ, North Alabama Int Coll Engn & Technol, Sch Chem & Chem Engn, Guiyang 550025, Peoples R China;corresponding author), Guizhou Inst Technol, Sch Civil Engn, Guiyang 550003, Peoples R China.|贵州理工学院土木工程学院;贵州理工学院;

年份：2025

卷号：705

外文期刊名：APPLIED CATALYSIS A-GENERAL

收录：;EI(收录号：20252718727407);Scopus(收录号：2-s2.0-105009688198);WOS:【SCI-EXPANDED(收录号:WOS:001530514000001)】；

基金：This work was supported by National Natural Science Foundation of China (22168013, 22279024) , Natural Science Foundation of Guizhou (QiankehejichuMS [2025] 185) , Young Top Talents Program of Science and Technology of Guizhou Province (Qianjiaoji [2024] 315) , SRT project of Guizhou University (2024SRT010, 2023SRT197) .

语种：英文

外文关键词：Fe doping; Water splitting; Steam reforming of toluene; Ni-Fe/CeO2/CNT

摘要：Steam reforming of tar represents a cost-effective approach for tar removal in biomass gasification. Here, we developed a Ni-Fe/CeO2/CNT catalyst and unveil the effect of Fe for steam reforming of toluene (SRT) which is a representative tar model compound. The catalyst demonstrated exceptional stability (above 80 % toluene conversion, 3000 mmol/gcat/h H2 yield) over 50 h. The outstanding performance is attributed to the effect of Fe in forming Ni-Fe alloy with the highest reducibility, dispersion, Ni0 ratio, and increased sintering resistance, alongside enhanced electron transfer between Ni and Fe. Fe also promotes H2O adsorption, providing active oxygen for toluene conversion and carbon elimination. Finally, reaction mechanism was explored based on the in-situ DRIFTS and DFT calculations. DFT calculations revealed that Fe sites exhibit higher density of states, electrostatic potential, and d-band center than Ni sites, facilitating H2O coordination. Fe doping reduces energy barriers for H2O splitting and methyl dehydrogenation, while Ni promotes H2 desorption. The synergistic Ni-Fe interaction enables distinct activation of toluene and H2O, respectively. Comparative studies showed Ni/CeO2/ CNT suffers from carbon deposition, while Fe/CeO2/CNT exhibits limited activity due to poor reducibility and low Fe0 content. These findings provide critical insights for designing stable Fe-based catalysts for efficient tar removal.