1P-081 Density Functional Study of Roles of Porphyrin Ring in Electronic Structures of Heme(Heme proteins, The 47th Annual Meeting of the Biophysical Society of Japan)

2009 ◽  
Vol 49 (supplement) ◽  
pp. S76
Author(s):  
Yu Takano ◽  
Haruki Nakamura
Keyword(s):  
Annual Meeting ◽  
Electronic Structures ◽  
Heme Proteins ◽  
Density Functional ◽  
Functional Study ◽  
Porphyrin Ring ◽  
Density Functional Study ◽  
Biophysical Society

scholarly journals Na-ion diffusion in a NASICON-type solid electrolyte: a density functional study

2016 ◽  
Vol 18 (39) ◽  
pp. 27226-27231 ◽  
Author(s):  
Kieu My Bui ◽  
Van An Dinh ◽  
Susumu Okada ◽  
Takahisa Ohno
Keyword(s):  
Density Functional Theory ◽  
Solid Electrolyte ◽  
Electronic Structures ◽  
Density Functional ◽  
Diffusion Mechanism ◽  
Functional Study ◽  
Ion Diffusion ◽  
Functional Theory ◽  
Density Functional Study ◽  
Nasicon Type

Based on density functional theory, we have systematically studied the crystal and electronic structures, and the diffusion mechanism of the NASICON-type solid electrolyte Na3Zr2Si2PO12.

Sign in / Sign up

Export Citation Format

Share Document