Highly-dispersed surface NiO species and exposed Ni (200) facets facilitating activation of furan ring for high-efficiency total hydrogenation of furfural

被引:23
作者
Fu, Qiuju [1 ,2 ]
Yan, Liting [1 ]
Liu, Dandan [2 ]
Zhang, Shuo [2 ]
Jiang, Huimin [2 ]
Xie, Wenpeng [2 ]
Yang, Lingzhi [1 ]
Wang, Yujia [3 ]
Wang, Haiyan [3 ]
Zhao, Xuebo [1 ,2 ]
机构
[1] Qilu Univ Technol, Shandong Acad Sci, Sch Mat Sci & Engn, Jinan 250353, Peoples R China
[2] China Univ Petr East China, Coll Chem & Chem Engn, State Key Lab Heavy Oil Proc, Qingdao 266580, Peoples R China
[3] Liaoning Petrochem Univ, Sch Petrochem Engn, Fushun 113001, Peoples R China
来源
APPLIED CATALYSIS B-ENVIRONMENT AND ENERGY | 2024年 / 343卷
基金
中国国家自然科学基金;
关键词
Surface NiO species; Furfural; Hydrogenation; Tetrahydrofurfuryl alcohol; TOTAL-ENERGY CALCULATIONS; SELECTIVE HYDROGENATION; CATALYSTS; ADSORPTION; MOFS;
D O I
10.1016/j.apcatb.2023.123501
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Selective hydrogenation of biomass is indispensable to obtain high value-added chemicals. Herein, carbon-embedded Ni-based catalyst Ni/C-400 was prepared by employing a 3D flower-like MOF Ni-BDC as the sacrificial template. It featured highly exposed Ni (200) facets with abundant highly-dispersed surface NiO species, exhibited an outstanding catalytic performance toward the total hydrogenation of furfural (FFR), and achieved an exceptional tetrahydrofurfuryl alcohol (THFA) yield of 98.5 % under 80 degrees C and 1 MPa H2. FFR/FFA-temperature program desorption (TPD) was designed for the first time to identify the adsorption capacity and strength between reactants and catalysts. Density functional theory (DFT) calculations confirmed that Ni particles with surface NiO species have a more substantial capacity to adsorb reactants, while the Ni (200) facets are capable of adsorbing more dissociated H atoms, which is the key to concurrently achieving high FFR conversion and THFA selectivity.
引用
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页数:17
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