CO activation and methanation mechanism on hexagonal close-packed Co catalysts: effect of functionals, carbon deposition and surface structure

2020 ◽  
Vol 10 (10) ◽  
pp. 3387-3398
Author(s):  
Hai-Yan Su ◽  
Changlin Yu ◽  
Jin-Xun Liu ◽  
Yonghui Zhao ◽  
Xiufang Ma ◽  
...  

Regardless of the functionals used and the presence of graphitic carbon, the CO methanation rate on Co(0001) is mainly controlled by CHO decomposition.

ACS Omega ◽  
2021 ◽  
Author(s):  
Wenlong Mo ◽  
Xingxiang Wang ◽  
Meng Zou ◽  
Xianjin Huang ◽  
Fengyun Ma ◽  
...  

2002 ◽  
Vol 74 (9) ◽  
pp. 1663-1671 ◽  
Author(s):  
Raghani Pushpa ◽  
Shobhana Narasimhan

Close-packed metal surfaces and heteroepitaxial systems frequently display a structure consisting of regularly spaced misfit dislocations, with a network of domain walls separating face-centered cubic (fcc) and hexagonal close-packed (hcp) domains. These structures can serve as templates for growing regularly spaced arrays of nanoislands. We present a theoretical investigation of the factors controlling the size and shape of the domains, using Pt(111) as a model system. Upon varying the chemical potential, the surface structure changes from being unreconstructed to the honeycomb, wavy triangles, "bright stars", or Moiré patterns observed experimentally on Pt(111) and other systems. For the particular case of Pt(111), isotropically contracted star-like patterns are favored over uniaxially contracted stripes.


2014 ◽  
Vol 39 (7) ◽  
pp. 3231-3242 ◽  
Author(s):  
Xuzhuang Yang ◽  
Wendurima ◽  
Guanjun Gao ◽  
Quanquan Shi ◽  
Xin Wang ◽  
...  

2014 ◽  
Vol 50 (96) ◽  
pp. 15255-15258 ◽  
Author(s):  
Yasuhiro Shiraishi ◽  
Yusuke Kofuji ◽  
Shunsuke Kanazawa ◽  
Hirokatsu Sakamoto ◽  
Satoshi Ichikawa ◽  
...  

2013 ◽  
Vol 32 ◽  
pp. 58-61 ◽  
Author(s):  
Patrícia E.F. Oliveira ◽  
Leandro P. Ribeiro ◽  
Marcelo G. Rosmaninho ◽  
José D. Ardisson ◽  
Anderson Dias ◽  
...  

2016 ◽  
Vol 41 (20) ◽  
pp. 8401-8411 ◽  
Author(s):  
Xiaoxia Han ◽  
Jinzhou Yang ◽  
Hailong Guo ◽  
Zhifeng Qin ◽  
Shuyan Zhao ◽  
...  

ChemSusChem ◽  
2013 ◽  
Vol 6 (10) ◽  
pp. 1938-1944 ◽  
Author(s):  
Yingying Lv ◽  
Zhangxiong Wu ◽  
Xufang Qian ◽  
Yin Fang ◽  
Dan Feng ◽  
...  

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