The role of oxygen vacancies on SnO2 in improving formaldehyde competitive adsorption: A DFT study with an experimental verification

2021 ◽  
pp. 151110
Author(s):  
Yanhui Sun ◽  
Shupeng Sun ◽  
Yangong Zheng ◽  
Zhaorui Zhang ◽  
Tengyue Hou ◽  
...  
Keyword(s):  
Experimental Verification ◽  
Oxygen Vacancies ◽  
Competitive Adsorption ◽  
Dft Study

scholarly journals The role of oxygen vacancies on the vibrational motions of hydride ions in the oxyhydride of barium titanate

2020 ◽  
Vol 8 (13) ◽  
pp. 6360-6371 ◽  
Author(s):  
Carin Eklöf-Österberg ◽  
Laura Mazzei ◽  
Erik Jedvik Granhed ◽  
Göran Wahnström ◽  
Reji Nedumkandathil ◽  
...  
Keyword(s):  
Barium Titanate ◽  
Oxygen Vacancies ◽  
Dft Study ◽  
Vibrational Dynamics ◽  
Effect Of Oxygen ◽  
Hydride Ions

Combined INS and DFT study on BaTiO3−xHx unravels the effect of oxygen vacancies on the vibrational dynamics of hydride ions.

Balanced performance for β-Ga2O3 solar blind photodetectors: The role of oxygen vacancies

2021 ◽  
Vol 112 ◽  
pp. 110808
Author(s):  
Jiang Wang ◽  
Yuanqiang Xiong ◽  
Lijuan Ye ◽  
Wanjun Li ◽  
Guoping Qin ◽  
...  
Keyword(s):  
Oxygen Vacancies ◽  
Solar Blind

Role of oxygen vacancies on ferromagnetism in Fe-doped TiO2 thin films

2007 ◽  
Vol 102 (7) ◽  
pp. 073905 ◽  
Author(s):  
H. J. Meng ◽  
D. L. Hou ◽  
L. Y. Jia ◽  
X. J. Ye ◽  
H. J. Zhou ◽  
...  
Keyword(s):  
Thin Films ◽  
Oxygen Vacancies ◽  
Tio2 Thin Films ◽  
Doped Tio2

Competitive adsorption mechanism of thiophene with benzene in FAU zeolite: The role of displacement

2017 ◽  
Vol 328 ◽  
pp. 172-185 ◽  
Author(s):  
Shanqing Dang ◽  
Liang Zhao ◽  
Qing Yang ◽  
Meng Zheng ◽  
Jingjing Zhang ◽  
...  
Keyword(s):  
Adsorption Mechanism ◽  
Competitive Adsorption ◽  
Fau Zeolite

scholarly journals Acetylene and Ethylene Adsorption on a β-Mo2C(100) Surface: A Periodic DFT Study on the Role of C- and Mo-Terminations for Bonding and Hydrogenation Reactions

2017 ◽  
Vol 121 (36) ◽  
pp. 19786-19795 ◽  
Author(s):  
Carlos Jimenez-Orozco ◽  
Elizabeth Florez ◽  
Andres Moreno ◽  
Ping Liu ◽  
José A. Rodriguez
Keyword(s):  
Dft Study ◽  
Ethylene Adsorption ◽  
Hydrogenation Reactions ◽  
Periodic Dft
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