The catalytic CO oxidative coupling to dimethyl oxalate on Pd clusters anchored on defected graphene: A theoretical study

2018 ◽  
Vol 453 ◽  
pp. 100-112 ◽  
Author(s):  
Lixia Ling ◽  
Xue Feng ◽  
Yueting Cao ◽  
Ping Liu ◽  
Maohong Fan ◽  
...  
Keyword(s):  
Oxidative Coupling ◽  
Theoretical Study ◽  
Dimethyl Oxalate ◽  
Pd Clusters ◽  
Defected Graphene

A DFT Study on the Catalytic CO Oxidative Coupling to Dimethyl Oxalate on Al-Doped Core–Shell Pd Clusters

2018 ◽  
Vol 122 (2) ◽  
pp. 1169-1179 ◽  
Author(s):  
Xue Feng ◽  
Lixia Ling ◽  
Yueting Cao ◽  
Riguang Zhang ◽  
Maohong Fan ◽  
...  
Keyword(s):  
Oxidative Coupling ◽  
Dft Study ◽  
Core Shell ◽  
Dimethyl Oxalate ◽  
Pd Clusters

scholarly journals Theoretical Study of Ripening Mechanisms of Pd Clusters on Ceria

2017 ◽  
Vol 29 (21) ◽  
pp. 9456-9462 ◽  
Author(s):  
Ya-Qiong Su ◽  
Jin-Xun Liu ◽  
Ivo A. W. Filot ◽  
Emiel J. M. Hensen
Keyword(s):  
Theoretical Study ◽  
Pd Clusters

Enhanced metal-support interaction between Pd and hierarchical Nb2O5 via oxygen defects induction to promote CO oxidative coupling to dimethyl oxalate

Nanoscale ◽  
2021 ◽  
Author(s):  
Hong-Zi Tan ◽  
Yu-Ping Xu ◽  
Siteng Rong ◽  
Rongrong Zhao ◽  
Hongyou Cui ◽  
...  
Keyword(s):  
Ethylene Glycol ◽  
Oxidative Coupling ◽  
Dimethyl Oxalate ◽  
Support Interaction ◽  
Oxygen Defects ◽  
Metal Support Interaction ◽  
Metal Support

Production of ethylene glycol from coal is a particularly interesting route as it is an economic alternative of the petrochemical-based route. In this process, effectively generating dimethyl oxalate (DMO) is...

Adsorption of formaldehyde molecule on Stone–Wales defected graphene doped with Cr, Mn, and Co: A theoretical study

2014 ◽  
Vol 83 ◽  
pp. 398-402 ◽  
Author(s):  
Qingxiao Zhou ◽  
Chaoyang Wang ◽  
Zhibing Fu ◽  
Yongjian Tang ◽  
Hong Zhang
Keyword(s):  
Theoretical Study ◽  
Formaldehyde Molecule ◽  
Defected Graphene

Theoretical study of the icosahedral to cuboctahedral structural transition in Rh and Pd clusters

2000 ◽  
Vol 11 (3) ◽  
pp. 395-402 ◽  
Author(s):  
C. Barreteau ◽  
M.C. Desjonquères ◽  
D. Spanjaard
Keyword(s):  
Structural Transition ◽  
Theoretical Study ◽  
Pd Clusters

The CO oxidation mechanism on small Pd clusters. A theoretical study

2015 ◽  
Vol 21 (11) ◽  
Author(s):  
Julio César González-Torres ◽  
Virineya Bertin ◽  
Enrique Poulain ◽  
Oscar Olvera-Neria
Keyword(s):  
Co Oxidation ◽  
Theoretical Study ◽  
Oxidation Mechanism ◽  
Pd Clusters ◽  
Co Oxidation Mechanism
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