当前位置: X-MOL 学术Ind. Crops Prod. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Integrated experimental and DFT analysis on the efficient and green upgrading of agroforestry biomass derived furan chemicals over NiMoO4-CNTs-CF electrocatalyst with bi-catalytic sites
Industrial Crops and Products ( IF 5.6 ) Pub Date : 2022-08-19 , DOI: 10.1016/j.indcrop.2022.115492
Yi Wu , ZhenLong Guo , ChangXia Sun , YouDi Yang , Qiang Li

Agroforestry biomass derived Furfural (FUR) and 5-hydroxymethylfurfural (HMF) have attracted considerable attention which could be converted to high-value fuel additives and fine chemicals. However, it still remains a hot issue to exploit more efficient and greener means for the conversion of furan aldehyde under moderate conditions. Herein, electro-catalysis driven by electricity without hazardous oxidants have been proven to be a promising and powerful tool. Meanwhile, NiMoO4-CNTs-CF was demonstrated to be effective and durable electrocatalyst with bi-catalytic sites. At 96.98% and 93.78% yield of furoic acid (FA) and 2,5-furandicarboxylic acid (FDCA), the faradaic efficiency for FA and FDCA could reach 95.47% and 89.42%, respectively. Detailed studies revealed that the electrical conductivity, charge density and electron transfer on the electrode surface were remarkably improved. The FA yield maintained over 90% after five successive cycles, demonstrated that this electrocatalyst could exhibit highly durable stability during the conversion. Density functional theory (DFT) calculations revealed that the synergistic effect of Ni and Mo could improve the electrocatalytic oxidation activity and selectivity of NiMoO4-CNTs-CF electrocatalyst. It significantly made up for the insufficient and incomplete single metal catalytic mechanism in the previous works. This finding provided an innovative and feasible way to synthesize high-value furan-based chemicals derived from the renewable resources, which would significantly benefit food, pharmacy and chemical industry.



中文翻译:

具有双催化位点的 NiMoO4-CNTs-CF 电催化剂上农林生物质衍生呋喃化学品高效绿色升级的综合实验和 DFT 分析

农林业生物质衍生的糠醛 (FUR) 和 5-羟甲基糠醛 (HMF) 引起了相当大的关注,它们可以转化为高价值的燃料添加剂和精细化学品。然而,在温和条件下探索更高效、更环保的呋喃醛转化方法仍然是一个热点问题。在此,由电力驱动且不含有害氧化剂的电催化已被证明是一种有前途且强大的工具。同时,NiMoO 4-CNTs-CF 被证明是具有双催化位点的有效且耐用的电催化剂。在糠酸 (FA) 和 2,5-呋喃二甲酸 (FDCA) 的收率分别为 96.98% 和 93.78% 时,FA 和 FDCA 的法拉第效率可分别达到 95.47% 和 89.42%。详细研究表明,电极表面的电导率、电荷密度和电子转移显着提高。连续五个循环后,FA 产率保持在 90% 以上,表明该电催化剂在转化过程中表现出高度的持久稳定性。密度泛函理论(DFT)计算表明,Ni和Mo的协同作用可以提高NiMoO 4的电催化氧化活性和选择性-CNTs-CF电催化剂。它显着弥补了以往工作中单一金属催化机理的不足和不完整。这一发现为从可再生资源中合成高价值的呋喃类化学品提供了一种创新且可行的方法,这将极大地造福于食品、制药和化工行业。

更新日期:2022-08-19
down
wechat
bug