scholarly journals Band gaps and electronic structure of alkaline-earth and post-transition-metal oxides

2010 ◽  
Vol 81 (24) ◽  
Author(s):  
J. A. McLeod ◽  
R. G. Wilks ◽  
N. A. Skorikov ◽  
L. D. Finkelstein ◽  
M. Abu-Samak ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
Metal Oxides ◽  
Transition Metal Oxides ◽  
Alkaline Earth ◽  
Band Gaps

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

OxygenKx-ray-absorption near-edge structure of alkaline-earth-metal and 3d-transition-metal oxides

1987 ◽  
Vol 36 (17) ◽  
pp. 9241-9246 ◽  
Author(s):  
Shun-ichi Nakai ◽  
Tsutomu Mitsuishi ◽  
Hidenao Sugawara ◽  
Hideki Maezawa ◽  
Tokuo Matsukawa ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Oxides ◽  
Transition Metal Oxides ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Edge Structure

Assessing cathode property prediction via exchange-correlation functionals with and without long-range dispersion corrections

2021 ◽  
Author(s):  
Olivia Long ◽  
Gopalakrishnan Sai Gautam ◽  
Emily Ann Carter
Keyword(s):  
Transition Metal ◽  
Metal Oxides ◽  
Lithium Ion Batteries ◽  
Long Range ◽  
Transition Metal Oxides ◽  
Lithium Ion ◽  
Band Gaps ◽  
Property Prediction ◽  
Exchange Correlation

We benchmark calculated interlayer spacings, average topotactic voltages, thermodynamic stabilities, and band gaps in layered lithium transition-metal oxides (TMOs) and their de-lithiated counterparts, which are used in lithium-ion batteries as...

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