scholarly journals Efficient algorithm for asymptotics-based configuration-interaction methods and electronic structure of transition metal atoms

2010 ◽  
Vol 133 (18) ◽  
pp. 184101 ◽  
Author(s):  
Christian B. Mendl ◽  
Gero Friesecke
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Configuration Interaction ◽  
Efficient Algorithm ◽  
Metal Atoms ◽  
Transition Metal Atoms

Synergistic effect of an atomically dual-metal doped catalyst for highly efficient oxygen evolution

2018 ◽  
Vol 6 (16) ◽  
pp. 6840-6846 ◽  
Author(s):  
Daobin Liu ◽  
Shiqing Ding ◽  
Chuanqiang Wu ◽  
Wei Gan ◽  
Changda Wang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Catalytic Activity ◽  
Transition Metal ◽  
Synergistic Effect ◽  
Carbon Nitride ◽  
Highly Efficient ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Dual Metal ◽  
Metal Doped

Isolated dual transition metal atoms (Ni and Fe) were uniformly embedded into graphitic carbon nitrideviaa metal–Nxbond, resulting in highly efficient catalytic activity due to the electronic structure reconfiguration.

Design of superatomic systems: exploiting favourable conditions for the delocalisation of d-electron density in transition metal doped clusters

2020 ◽  
Vol 22 (33) ◽  
pp. 18585-18594
Author(s):  
J. T. A. Gilmour ◽  
N. Gaston
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Electron Density ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Doped Clusters ◽  
Metal Doped

Some transition metal atoms are able to contribute all of their d-electrons into a global electronic structure, when the conditions are favourable for the closure of superatomic shells.

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