The Electronic Structure of Metal Oxides

2005 ◽  
pp. 133-194 ◽  
Author(s):  
Y Kim ◽  
M Stoltzfus ◽  
H Mizoguchi ◽  
P Woodward
Keyword(s):  
Electronic Structure ◽  
Metal Oxides ◽  
Structure Of Metal

scholarly journals Modulating electronic structure of metal-organic frameworks by introducing atomically dispersed Ru for efficient hydrogen evolution

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Yamei Sun ◽  
Ziqian Xue ◽  
Qinglin Liu ◽  
Yaling Jia ◽  
Yinle Li ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Hydrogen Evolution ◽  
Hydrogen Evolution Reaction ◽  
Density Functional ◽  
Metal Organic Frameworks ◽  
Catalyst Design ◽  
Single Atom ◽  
Hydrogen Energy ◽  
Structure Of Metal ◽  
Metal Organic

AbstractDeveloping high-performance electrocatalysts toward hydrogen evolution reaction is important for clean and sustainable hydrogen energy, yet still challenging. Herein, we report a single-atom strategy to construct excellent metal-organic frameworks (MOFs) hydrogen evolution reaction electrocatalyst (NiRu0.13-BDC) by introducing atomically dispersed Ru. Significantly, the obtained NiRu0.13-BDC exhibits outstanding hydrogen evolution activity in all pH, especially with a low overpotential of 36 mV at a current density of 10 mA cm−2 in 1 M phosphate buffered saline solution, which is comparable to commercial Pt/C. X-ray absorption fine structures and the density functional theory calculations reveal that introducing Ru single-atom can modulate electronic structure of metal center in the MOF, leading to the optimization of binding strength for H2O and H*, and the enhancement of HER performance. This work establishes single-atom strategy as an efficient approach to modulate electronic structure of MOFs for catalyst design.

scholarly journals Influence of shallow core-level hybridization on the electronic structure of post-transition-metal oxides studied using soft X-ray emission and absorption

2003 ◽  
Vol 68 (16) ◽  
Author(s):  
Cormac McGuinness ◽  
Cristian B. Stagarescu ◽  
Philip J. Ryan ◽  
James E. Downes ◽  
Dongfeng Fu ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Metal Oxides ◽  
Transition Metal Oxides ◽  
Core Level ◽  
X Ray
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