The band structure and optical absorption of hematite (α-Fe2O3): a first-principles GW-BSE study

2019 ◽  
Vol 21 (6) ◽  
pp. 2957-2967 ◽  
Author(s):  
Simone Piccinin
Keyword(s):  
Charge Transfer ◽  
Optical Absorption ◽  
Band Structure ◽  
First Principles ◽  
Metal Charge ◽  
Metal Charge Transfer

Using Bethe–Salpeter calculations we show that the onset of optical absorption in hematite is due to ligand-to-metal charge transfer excitations.

Tuning metal to metal charge transfer properties in cyanidometal-bridged complexes by changing the auxiliary ligand on the bridge

2021 ◽  
Author(s):  
Qing-Dou Xu ◽  
Chen Zeng ◽  
Shao-Dong Su ◽  
Yu-Ying Yang ◽  
Sheng-Min Hu ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Auxiliary Ligand ◽  
Metal Charge ◽  
Transfer Properties ◽  
Metal Charge Transfer

This work shows that the energy of MMCT in cyanidometal-bridged complexes can be tuned systematically by changing the auxiliary ligand of the cyanidometal bridge.

The fluorescence properties of tiara like structural thiolated palladium clusters

2017 ◽  
Vol 46 (38) ◽  
pp. 12964-12970 ◽  
Author(s):  
Jishi Chen ◽  
Yanze Pan ◽  
Zonghua Wang ◽  
Peng Zhao
Keyword(s):  
Charge Transfer ◽  
Fluorescence Properties ◽  
Metal Charge ◽  
Palladium Clusters ◽  
Metal Charge Transfer

A series of tiara like structural Pdn(SR)2n (5 ≤ n ≤ 20) nanoclusters exhibit emission at 620 nm with excitation at around 268 nm. Their emission is due to ligand to metal charge transfer.

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