Absorption and diffusion of hydrogen in palladium-silver alloys by density functional theory

2002 ◽  
Vol 66 (18) ◽  
Author(s):  
Xuezhi Ke ◽  
Gert Jan Kramer
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Functional Theory ◽  
Silver Alloys ◽  
And Diffusion ◽  
Diffusion Of Hydrogen ◽  
Palladium Silver

scholarly journals Diffusion of hydrogen into and through γ-iron by density functional theory

2018 ◽  
Vol 672-673 ◽  
pp. 56-61 ◽  
Author(s):  
Urslaan K. Chohan ◽  
Sven P.K. Koehler ◽  
Enrique Jimenez-Melero
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Functional Theory ◽  
Diffusion Of Hydrogen

Density Functional Theory Studies of the Palladium–Silver(211) Stepped Surfaces

2014 ◽  
Vol 14 (9) ◽  
pp. 7079-7086 ◽  
Author(s):  
Linhai Duan ◽  
Lihong Pan ◽  
Qiang Li ◽  
Xiuhong Meng ◽  
Qiang Wang ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Functional Theory ◽  
Stepped Surfaces ◽  
Palladium Silver

scholarly journals Density functional theory study on the electronic properties and stability of silicene/silicane nanoribbons

2015 ◽  
Vol 3 (16) ◽  
pp. 3954-3959 ◽  
Author(s):  
Q. G. Jiang ◽  
J. F. Zhang ◽  
Z. M. Ao ◽  
Y. P. Wu
Keyword(s):  
Density Functional Theory ◽  
Electronic Properties ◽  
Density Functional ◽  
Minimum Energy ◽  
Density Functional Theory Study ◽  
Hydrogen Atoms ◽  
Energy Barriers ◽  
Functional Theory ◽  
Diffusion Of Hydrogen

The minimum energy barriers for the diffusion of hydrogen atoms at the zigzag and armchair interfaces of SSNRs are respectively 1.54 and 1.47 eV.

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