scholarly journals Non-Transition-Metal Catalytic System for N2 Reduction to NH3: A Density Functional Theory Study of Al-Doped Graphene

2018 ◽  
Vol 9 (3) ◽  
pp. 570-576 ◽  
Author(s):  
Yong-Hui Tian ◽  
Shuangli Hu ◽  
Xiaolan Sheng ◽  
Yixiang Duan ◽  
Jacek Jakowski ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Transition Metal ◽  
Catalytic System ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Doped Graphene

scholarly journals Magnetism of 3d transition metal monolayers on Pd(001) surface: density functional theory study

2005 ◽  
Vol 54 (12) ◽  
pp. 5849
Author(s):  
Zhao Xin-Xin ◽  
Tao Xiang-Ming ◽  
Chen Wen-Bin ◽  
Cai Jian-Qiu ◽  
Tan Ming-Qiu
Keyword(s):  
Density Functional Theory ◽  
Transition Metal ◽  
Surface Density ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory

Effect of Transition Metal Dopants on Initial Mass Transport in the Dehydrogenation of NaAlH4: Density Functional Theory Study

2012 ◽  
Vol 117 (1) ◽  
pp. 3-14 ◽  
Author(s):  
Ali Marashdeh ◽  
Jan-Willem I. Versluis ◽  
Álvaro Valdés ◽  
Roar A. Olsen ◽  
Ole Martin Løvvik ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Transition Metal ◽  
Mass Transport ◽  
Density Functional ◽  
Initial Mass ◽  
Density Functional Theory Study ◽  
Functional Theory
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