Phase evolution and correlation between tolerance factor and electromechanical properties in BNT-based ternary perovskite compounds with calculated end-member Bi(Me0.5Ti0.5)O3 (Me = Zn, Mg, Ni, Co)

2016 ◽  
Vol 45 (36) ◽  
pp. 14141-14153 ◽  
Author(s):  
Wangfeng Bai ◽  
Bo Shen ◽  
Jiwei Zhai ◽  
Feng Liu ◽  
Peng Li ◽  
...  
Keyword(s):  
First Principles ◽  
Large Strain ◽  
Ternary Systems ◽  
Phase Evolution ◽  
Tolerance Factor ◽  
Strain Response ◽  
Electromechanical Properties ◽  
First Principles Method

The structure of Bi(Me0.5Ti0.5)O3 was calculated by a first-principles method and ternary systems BNT-BT-Bi(Me0.5Ti0.5)O3 were designed to achieved a large strain response.

Relationship in dielectric, ferroelectric behaviors and large strain response of BaTiO3-doped (Bi0.4871Na0.4871)La0.0172TiO3 ceramics

2019 ◽  
Vol 6 (6) ◽  
pp. 066305 ◽  
Author(s):  
Panupong Jaiban ◽  
Puripat Kantha ◽  
Kamonpan Pengpat ◽  
Soodkhet Pojprapai ◽  
Watcharapong Wongkeo ◽  
...  
Keyword(s):  
Large Strain ◽  
Strain Response

High catalytic activity for CO oxidation on single Fe atom stabilized in graphene vacancies

RSC Advances ◽  
2016 ◽  
Vol 6 (96) ◽  
pp. 93985-93996 ◽  
Author(s):  
Yanan Tang ◽  
Jincheng Zhou ◽  
Zigang Shen ◽  
Weiguang Chen ◽  
Chenggang Li ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Co Oxidation ◽  
First Principles ◽  
High Catalytic Activity ◽  
First Principles Method

The geometric, electronic and catalytic characters of Fe atom embedded graphene (including monovacancy and divacancy) are investigated using the first-principles method, which gives a reference on designing graphene-based catalysts for CO oxidation.

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