Application of density functional theory and machine learning in heterogenous-based catalytic reactions for hydrogen production

LI Ugwu, Y Morgan, H Ibrahim - International Journal of Hydrogen Energy, 2022 - Elsevier
Various feedstocks such as natural gas, glycerol, biomass, methanol, ethane, and other
hydrocarbons can be reformed to generate hydrogen as a viable alternative source of …

Catalysis of semihydrogenation of acetylene to ethylene: current trends, challenges, and outlook

TD Shittu, OB Ayodele - Frontiers of Chemical Science and Engineering, 2022 - Springer
Ethylene is an important feedstock for various industrial processes, particularly in the
polymer industry. Unfortunately, during naphtha cracking to produce ethylene, there are …

Ultrathin amorphous/crystalline heterophase Rh and Rh alloy nanosheets as tandem catalysts for direct indole synthesis

J Ge, P Yin, Y Chen, H Cheng, J Liu, B Chen… - Advanced …, 2021 - Wiley Online Library
Heterogeneous noble‐metal‐based catalysis plays an essential role in the production of fine
chemicals. Rh‐based catalysts are one of the most active candidates for indole synthesis …

Zr(OH)4‐Catalyzed Semi‐Hydrogenation of Phenylacetylene with Terminal Zr−O−H as Active Site: Inactive for Free Styrene

W Wu, N Li, C Che, J Zhao, J Qin, Z Feng… - Angewandte …, 2024 - Wiley Online Library
In the field of industrial semi‐hydrogenation of trace alkynes amidst alkene feedstocks, the
pivotal challenge lies in circumventing the hydrogenation of alkenes. Herein, we present Zr …

Boosting catalytic stability for VOCs removal by constructing PtCu alloy structure with superior oxygen activation behavior

Y Feng, L Wei, Z Wang, Y Liu, H Dai, C Wang… - Journal of Hazardous …, 2022 - Elsevier
The elimination of volatile organic compounds (VOCs) emitted from the process of industry
production is of great significance to improve the atmospheric environment. Herein the …

Colorimetric and ECL dual-mode aptasensor for smartphone-based onsite sensitive detection of aflatoxin B1 in combination with ZnO@ MWCNTs/g-C3N4 nanosheets …

H Xu, C Li, R Mao, X Wang, Y Fan, H Lu, J Liu… - Biosensors and …, 2024 - Elsevier
The development of dual-mode strategies with superior sensitivity and accuracy have
garnered increasing attention for researchers in Aflatoxin B1 (AFB1) analysis. Herein, a …

Selective hydrogenation of acetylene over Pd-Sn catalyst: Identification of Pd2Sn intermetallic alloy and crystal plane-dependent performance

R Li, Y Yue, Z Chen, X Chen, S Wang, Z Jiang… - Applied Catalysis B …, 2020 - Elsevier
In Pd catalyzed acetylene semi-hydrogenation, high selectivity always comes at the expense
of activity while improving both selectivity and activity is challenging. In this work, the …

Selective Hydrogenation of Alkyne by Atomically Precise Pd6 Nanocluster Catalysts: Accurate Construction of the Coplanar and Specific Active Sites

J Tang, K Jia, R Zhang, C Liu, X Lin, T Ge, X Liu… - ACS …, 2024 - ACS Publications
Atomically precise nanoclusters are promising model catalysts to understand the
relationship between structure and catalytic activity. However, designing efficient active sites …

Enhanced thermocatalytic stability by coupling nickel step sites with nitrogen heteroatoms for dry reforming of methane

D Guo, M Li, Y Lu, Y Zhao, M Li, Y Zhao, S Wang… - ACS …, 2021 - ACS Publications
Ni-catalyzed dry reforming of methane is usually subjected to coke-induced instability due to
an epitaxial lattice match between carbon and Ni step edge that stabilizes the carbon …

Highly efficient catalytic oxidation of 5-hydroxymethylfurfural to 2, 5-furandicarboxylic acid using bimetallic Pt–Cu alloy nanoparticles as catalysts

X Cheng, S Li, S Liu, Y **n, J Yang, B Chen… - Chemical …, 2022 - pubs.rsc.org
Bimetallic platinum–copper alloy nanoparticles are highly active catalysts for the oxidation of
5-hydroxymethylfurfural (HMF) to 2, 5-furandicarboxylic acid (FDCA) under base-free …