scholarly journals Theoretical Investigation on the Single Transition-Metal Atom-Decorated Defective MoS2 for Electrocatalytic Ammonia Synthesis

2019 ◽  
Vol 11 (40) ◽  
pp. 36506-36514 ◽  
Author(s):  
Haoran Guo ◽  
Lei Li ◽  
Xingyong Wang ◽  
Ge Yao ◽  
Haibo Yu ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Atom ◽  
Theoretical Investigation ◽  
Ammonia Synthesis ◽  
Transition Metal Atom ◽  
Single Transition

Computational screening of a single transition metal atom supported on the C2N monolayer for electrochemical ammonia synthesis

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 embedded into a MoS2 nanosheet as a promising catalyst for electrochemical ammonia synthesis

2018 ◽  
Vol 20 (14) ◽  
pp. 9248-9255 ◽  
Author(s):  
Jia Zhao ◽  
Jingxiang Zhao ◽  
Qinghai Cai
Keyword(s):  
Transition Metal ◽  
Metal Atom ◽  
High Efficiency ◽  
Ammonia Synthesis ◽  
Transition Metal Atom ◽  
Single Transition ◽  
Mos2 Nanosheet

Mo-embedded MoS2 nanosheet can be employed as a NRR electrocatalyst with high-efficiency.

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

2012 ◽  
Vol 116 (50) ◽  
pp. 26313-26321 ◽  
Author(s):  
Junjie He ◽  
Shuang Ying Ma ◽  
Pan Zhou ◽  
C. X. Zhang ◽  
Chaoyu He ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
Metal Atom ◽  
Transition Metal Atom ◽  
Single Transition
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