Energy density analysis of the chemical bond between atoms in perovskite-type hydrides

2007 ◽  
Vol 446-447 ◽  
pp. 96-100 ◽  
Author(s):  
Yoshifumi Shinzato ◽  
Hiroshi Yukawa ◽  
Masahiko Morinaga ◽  
Takeshi Baba ◽  
Hiromi Nakai
2007 ◽  
Vol 561-565 ◽  
pp. 1823-1826 ◽  
Author(s):  
Y. Shinzato ◽  
Yuki Saito ◽  
Hiroshi Yukawa ◽  
Masahiko Morinaga ◽  
Takeshi Baba ◽  
...  

A new expression for the chemical bond in perovskite-type oxides is proposed based on the atomization energy concept. The atomization energies, Eo for oxygen atom and EM for metal atom in each oxide are evaluated theoretically using the energy density analysis of the total energy, and the 9EO vs. 9EM diagram called atomization energy diagram, is constructed. Every oxide can be located on the atomization energy diagram, although there are significant differences in the nature of the chemical bond among the oxides.


2010 ◽  
Vol 16 (6) ◽  
pp. 1006-1010 ◽  
Author(s):  
Seung Bum Lee ◽  
Kyong Ho Han ◽  
Jae Dong Lee ◽  
In Kwon Hong

2019 ◽  
Vol 531 (7) ◽  
pp. 1800476 ◽  
Author(s):  
Raymundo Hernández‐Esparza ◽  
Bruno Landeros‐Rivera ◽  
Rubicelia Vargas ◽  
Jorge Garza

2019 ◽  
Vol 7 (17) ◽  
pp. 10293-10302 ◽  
Author(s):  
Manfang Chen ◽  
Cheng Huang ◽  
Yongfang Li ◽  
Shouxin Jiang ◽  
Peng Zeng ◽  
...  

Lithium–sulfur batteries (LSBs) are promising candidates for next-generation energy storage equipment due to their high theoretical energy density.


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