Ab-initio molecular dynamical study of a single transition metal atom on fullerene C60: the case of Ta

2009 ◽  
Vol 51 (3) ◽  
pp. 369-374 ◽  
Author(s):  
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M. Boero
Keyword(s):  
Transition Metal ◽  
Ab Initio ◽  
Metal Atom ◽  
Fullerene C60 ◽  
Transition Metal Atom ◽  
Dynamical Study ◽  
Single Transition

scholarly journals Magnetic Properties of Single Transition-Metal Atom Absorbed Graphdiyne and Graphyne Sheet from DFT+U Calculations

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Author(s):  
Junjie He ◽  
Shuang Ying Ma ◽  
Pan Zhou ◽  
C. X. Zhang ◽  
Chaoyu He ◽  
...  
Keyword(s):  
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Transition Metal ◽  
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Transition Metal Atom ◽  
Single Transition

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2018 ◽  
Vol 20 (18) ◽  
pp. 12835-12844 ◽  
Author(s):  
Zhongxu Wang ◽  
Zhigang Yu ◽  
Jingxiang Zhao
Keyword(s):  
Transition Metal ◽  
Metal Atom ◽  
Ammonia Synthesis ◽  
Transition Metal Atom ◽  
Computational Screening ◽  
Single Transition

The single Mo atom supported by C2N layer is an effective electrocatalyst for NH3 synthesis from N2.

Single Transition Metal Atom Anchored on VSe2 as Electrocatalyst for Nitrogen Reduction Reaction

2021 ◽  
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Author(s):  
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Zhifen Luo ◽  
Xicheng Zhang ◽  
Xian Zhang ◽  
Junqin Shi ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Atom ◽  
Reduction Reaction ◽  
Transition Metal Atom ◽  
Nitrogen Reduction ◽  
Single Transition
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