Comparative theoretical study of formic acid decomposition on PtAg(111) and Pt(111) surfaces

RSC Advances ◽  
2015 ◽  
Vol 5 (27) ◽  
pp. 21170-21177 ◽  
Author(s):  
Yuanyuan Qi ◽  
Jun Gao ◽  
Dongju Zhang ◽  
Chengbu Liu

This theoretical study compares the catalytic decomposition pathways of HCOOH on pure Pt surface with the ideal single-atom model catalyst of PtAg nanostructures.

2016 ◽  
Vol 18 (15) ◽  
pp. 10005-10017 ◽  
Author(s):  
Nan He ◽  
Zhen Hua Li

We carefully calculated the mechanism of one-atom model and its poisoned species, PdCO, as formic acid decomposition catalysts.


2019 ◽  
Vol 44 (1) ◽  
pp. 67-73 ◽  
Author(s):  
Ying-Ying Wang

By performing density functional theory calculations, the adsorption configurations of formic acid and possible reaction pathway for HCOOH oxidation on PtPd(111) surface are located. Results show that CO2 is preferentially formed as the main product of the catalytic oxidation of formic acid. The formation of CO on the pure Pd surface could not possibly occur during formic acid decomposition on the PtPd(111) surface owing to the high reaction barrier. Therefore, no poisoning of catalyst would occur on the PtPd(111) surface. Our results indicate that the significantly increased catalytic activity of bimetallic PtPd catalyst towards HCOOH oxidation should be attributed to the reduction in poisoning by CO.


ChemSusChem ◽  
2018 ◽  
Vol 11 (21) ◽  
pp. 3724-3727 ◽  
Author(s):  
Olga Y. Podyacheva ◽  
Dmitri A. Bulushev ◽  
Arina N. Suboch ◽  
Dmitry A. Svintsitskiy ◽  
Alexander S. Lisitsyn ◽  
...  

2021 ◽  
Vol 45 ◽  
pp. 101078
Author(s):  
Samuel Eshorame Sanni ◽  
Peter Adeniyi Alaba ◽  
Emeka Okoro ◽  
Moses Emetere ◽  
Babalola Oni ◽  
...  

2021 ◽  
Author(s):  
Javier Ivanez ◽  
Patricia Garcia-Munoz ◽  
Agnieszka M. Ruppert ◽  
Nicolas Keller

ChemCatChem ◽  
2021 ◽  
Author(s):  
Alberto Villa ◽  
Ilaria Barlocco ◽  
Sofia Capelli ◽  
Xiuyuan Lu ◽  
Silvio Bellomi ◽  
...  

ACS Catalysis ◽  
2015 ◽  
Vol 5 (8) ◽  
pp. 4772-4782 ◽  
Author(s):  
Manasa Sridhar ◽  
Davide Ferri ◽  
Martin Elsener ◽  
Jeroen Anton van Bokhoven ◽  
Oliver Kröcher

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