Fuel, Journal Year: 2025, Volume and Issue: 398, P. 135535 - 135535
Published: May 5, 2025
Language: Английский
Fuel, Journal Year: 2025, Volume and Issue: 398, P. 135535 - 135535
Published: May 5, 2025
Language: Английский
Chemical Engineering Journal, Journal Year: 2024, Volume and Issue: 497, P. 154861 - 154861
Published: Aug. 15, 2024
Language: Английский
Citations
22Separation and Purification Technology, Journal Year: 2024, Volume and Issue: 354, P. 128799 - 128799
Published: July 14, 2024
Language: Английский
Citations
17Fuel, Journal Year: 2025, Volume and Issue: 388, P. 134574 - 134574
Published: Feb. 4, 2025
Language: Английский
Citations
3ACS Catalysis, Journal Year: 2025, Volume and Issue: unknown, P. 3846 - 3859
Published: Feb. 19, 2025
Language: Английский
Citations
2International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 68, P. 1382 - 1392
Published: May 1, 2024
Language: Английский
Citations
14Fuel, Journal Year: 2024, Volume and Issue: 368, P. 131541 - 131541
Published: March 29, 2024
Language: Английский
Citations
12Journal of Industrial and Engineering Chemistry, Journal Year: 2024, Volume and Issue: unknown
Published: June 1, 2024
Language: Английский
Citations
10International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 83, P. 79 - 88
Published: Aug. 10, 2024
Language: Английский
Citations
9Journal of environmental chemical engineering, Journal Year: 2024, Volume and Issue: 12(5), P. 113873 - 113873
Published: Aug. 24, 2024
Language: Английский
Citations
9The Journal of Physical Chemistry C, Journal Year: 2025, Volume and Issue: unknown
Published: Jan. 12, 2025
The reverse oxygen spillover (ROS) process is a critical factor in the dry reforming of methane (DRM). However, detailed mechanism remains unclear. In this study, we investigate ROS Ru/CeO2(111) (where n = 1, 2, 3, 4) using ab initio molecular dynamics simulations at realistic DRM reaction temperatures (1000 K). Our findings indicate that phenomenon observed exclusively Ru2/CeO2 system, while it absent Ru1, Ru3, and Ru4/CeO2 systems. Furthermore, additional investigations involving other transition metal (TM) systems, specifically TM2/CeO2 TM Co, Ni, Pd, Pt), reveal can also occur Co2/CeO2(111) system. primarily attributed to two factors. First, an electronic structure analysis suggests strong metal–support interaction "oxophilic" properties certain metals, such as Ru are significant contributors ROS. Second, from geometric perspective, coordination between Ru2 surface atoms CeO2(111) asymmetric, with coordinating three atoms. This configuration provides for possibility one into cluster. Notably, environment clusters plays more role than determining occurrence Through calculations mechanism, demonstrate vacancy created by facilitate CO2 activation, lattice spills interface lower energy barrier associated oxidation process. We anticipate our will provide theoretical insights design high-performance catalysts DRM, emphasizing importance considering interactions interface.
Language: Английский
Citations
1