Strong Effect of Organic Ligands on the Electronic Structure of Metal-Chalcogenide Clusters

2018 ◽  
Vol 122 (28) ◽  
pp. 6014-6020 ◽  
Author(s):  
Vikas Chauhan ◽  
Shiv N. Khanna
Keyword(s):  
Electronic Structure ◽  
Organic Ligands ◽  
Metal Chalcogenide ◽  
Chalcogenide Clusters ◽  
Structure Of Metal

CO ligands stabilize metal chalcogenide Co6Se8(CO)n clusters via demagnetization

2017 ◽  
Vol 19 (47) ◽  
pp. 31940-31948 ◽  
Author(s):  
Vikas Chauhan ◽  
Arthur C. Reber ◽  
Shiv N. Khanna
Keyword(s):  
Carbon Monoxide ◽  
Electronic Structure ◽  
Magnetic Moment ◽  
Metal Chalcogenide ◽  
Chalcogenide Clusters ◽  
Structure Of Metal

The role of carbon monoxide ligands on the magnetic moment of Co6Se8(CO)n clusters, n = 0–6 was investigated to better understand the interplay between the electronic structure of metal chalcogenide clusters and their ligands.

scholarly journals Electronic Structure Engineering Achieved via Organic Ligands in Silicon Nanocrystals

2020 ◽  
Vol 32 (15) ◽  
pp. 6326-6337 ◽  
Author(s):  
Kateřina Dohnalová ◽  
Prokop Hapala ◽  
Kateřina Kůsová ◽  
Ivan Infante
Keyword(s):  
Electronic Structure ◽  
Silicon Nanocrystals ◽  
Organic Ligands ◽  
Structure Engineering

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.

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
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