scholarly journals Single-atom Pt in intermetallics as an ultrastable and selective catalyst for propane dehydrogenation

2020 ◽  
Vol 11 (1) ◽  
Author(s):  
Yuki Nakaya ◽  
Jun Hirayama ◽  
Seiji Yamazoe ◽  
Ken-ichi Shimizu ◽  
Shinya Furukawa
Science ◽  
2021 ◽  
Vol 372 (6549) ◽  
pp. 1444-1447
Author(s):  
Ryan T. Hannagan ◽  
Georgios Giannakakis ◽  
Romain Réocreux ◽  
Julia Schumann ◽  
Jordan Finzel ◽  
...  

The complexity of heterogeneous catalysts means that a priori design of new catalytic materials is difficult, but the well-defined nature of single-atom–alloy catalysts has made it feasible to perform unambiguous theoretical modeling and precise surface science experiments. Herein we report the theory-led discovery of a rhodium-copper (RhCu) single-atom–alloy catalyst for propane dehydrogenation to propene. Although Rh is not generally considered for alkane dehydrogenation, first-principles calculations revealed that Rh atoms disperse in Cu and exhibit low carbon-hydrogen bond activation barriers. Surface science experiments confirmed these predictions, and together these results informed the design of a highly active, selective, and coke-resistant RhCu nanoparticle catalyst that enables low-temperature nonoxidative propane dehydrogenation.


Fuel ◽  
2021 ◽  
pp. 122580
Author(s):  
Weiyu Song ◽  
Yikun Kang ◽  
Min Yang ◽  
Zhi Li ◽  
Lulu Chen ◽  
...  

Author(s):  
Jun Zhang ◽  
Rui-Jia Zhou ◽  
Qing-Yu Chang ◽  
Zhi-Jun Sui ◽  
Xing-Gui Zhou ◽  
...  

Author(s):  
Ziwei Zhai ◽  
Bofeng Zhang ◽  
Li Wang ◽  
XiangWen Zhang ◽  
Guozhu Liu

Propane dehydrogenation (PDH) is an effective approach to produce propylene. Downsizing the Pt species to single atom catalysts (SACs) has become a hotspot, owing to the maximum utilization and excellent...


2020 ◽  
Vol 10 (15) ◽  
pp. 4938-4951
Author(s):  
Fang Ma ◽  
Qing-Yu Chang ◽  
Qiang Yin ◽  
Zhi-Jun Sui ◽  
Xing-Gui Zhou ◽  
...  

Descriptor-based microkinetic analysis is performed to screen single-atom-doped ZnO for PDH, and Mn1- and Cu1–ZnO prove to be good candidates.


2021 ◽  
Author(s):  
Yuki Nakaya ◽  
Eigo Hayashida ◽  
Hiroyuki Asakura ◽  
Ken-ichi Shimizu ◽  
Shinya Furukawa

Propane dehydrogenation (PDH) has been a promising propylene production process that can compensate for the increasing global demand for propylene. However, Pt-based catalysts with high stability at ≥600°C have barely been reported because the catalysts typically result in short catalyst life owing to side reactions and coke formation. Herein, we report a new class of heterogeneous catalysts using high-entropy intermetallics (HEIs). Pt–Pt ensembles, which cause side reactions, are entirely diluted by the component inert metals in PtGe-type HEI; thereby, unfavorable side reactions are drastically inhibited. The resultant HEI: (PtCoCu)(GeGeSn)/Ca–SiO2 exhibited an outstandingly high catalytic stability, even at 600°C (kd−1 = τ = 4146 h = 173 d), and almost no deactivation of the catalyst was observed two months for the first time.


ACS Catalysis ◽  
2021 ◽  
pp. 5135-5147
Author(s):  
Qing-Yu Chang ◽  
Kai-Qi Wang ◽  
Zhi-Jun Sui ◽  
Xing-Gui Zhou ◽  
De Chen ◽  
...  

Author(s):  
Wah Chi

Resolution and contrast are the important factors to determine the feasibility of imaging single heavy atoms on a thin substrate in an electron microscope. The present report compares the atom image characteristics in different modes of fixed beam dark field microscopy including the ideal beam stop (IBS), a wire beam stop (WBS), tilted illumination (Tl) and a displaced aperture (DA). Image contrast between one Hg and a column of linearly aligned carbon atoms (representing the substrate), are also discussed. The assumptions in the present calculations are perfectly coherent illumination, atom object is represented by spherically symmetric potential derived from Relativistic Hartree Fock Slater wave functions, phase grating approximation is used to evaluate the complex scattering amplitude, inelastic scattering is ignored, phase distortion is solely due to defocus and spherical abberation, and total elastic scattering cross section is evaluated by the Optical Theorem. The atom image intensities are presented in a Z-modulation display, and the details of calculation are described elsewhere.


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