A DFT study of methane activation on graphite surfaces with vacancy defects

2012 ◽  
Vol 21 (6) ◽  
pp. 708-712 ◽  
Author(s):  
Fengsi Liu ◽  
Wei Chu ◽  
Wenjing Sun ◽  
Ying Xue ◽  
Qian Jiang
Keyword(s):  
Methane Activation ◽  
Dft Study ◽  
Vacancy Defects

A DFT study of hydrogen and methane activation by B(C6F5)3/P(t-Bu)3 and Al(C6F5)3/P(t-Bu)3 frustrated Lewis pairs

2017 ◽  
Vol 23 (8) ◽  
Author(s):  
Nery Villegas-Escobar ◽  
Alejandro Toro-Labbé ◽  
Marcos Becerra ◽  
Misael Real-Enriquez ◽  
Jose R. Mora ◽  
...  
Keyword(s):  
Methane Activation ◽  
Dft Study ◽  
Frustrated Lewis Pairs ◽  
Lewis Pairs

Improving desorption temperature and kinetic properties in MgH2 by vacancy defects: DFT study

2020 ◽  
Vol 45 (18) ◽  
pp. 10806-10813 ◽  
Author(s):  
Soufiane Bahou ◽  
Hicham Labrim ◽  
Marwan Lakhal ◽  
Mohamed Bhihi ◽  
Bouchaib Hartiti ◽  
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Keyword(s):  
Dft Study ◽  
Kinetic Properties ◽  
Vacancy Defects ◽  
Desorption Temperature

Methane Activation in Gold Cation-Exchanged Zeolites: A DFT Study

ACS Catalysis ◽  
2012 ◽  
Vol 2 (6) ◽  
pp. 986-992 ◽  
Author(s):  
Sippakorn Wannakao ◽  
Chompunuch Warakulwit ◽  
Kanokwan Kongpatpanich ◽  
Michael Probst ◽  
Jumras Limtrakul
Keyword(s):  
Methane Activation ◽  
Dft Study

DFT Study of Methane Activation and Coupling on the (0001) and (112̅0) Surfaces of α-WC

2020 ◽  
Vol 124 (49) ◽  
pp. 26722-26729
Author(s):  
Tianyu Zhang ◽  
Domoina Holiharimanana ◽  
Xiaofeng Yang ◽  
Qingfeng Ge
Keyword(s):  
Methane Activation ◽  
Dft Study

DFT Study on the Effect of Aluminum Position in Zn-Exchanged MFI on Methane Activation

2019 ◽  
Vol 123 (26) ◽  
pp. 16164-16171 ◽  
Author(s):  
Sandra C. Albarracín-Suazo ◽  
Yomaira J. Pagán-Torres ◽  
María C. Curet-Arana
Keyword(s):  
Methane Activation ◽  
Dft Study
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