scholarly journals Design of ternary alkaline-earth metal Sn(ii) oxides with potential good p-type conductivity

2016 ◽  
Vol 4 (20) ◽  
pp. 4592-4599 ◽  
Author(s):  
Yuwei Li ◽  
David J. Singh ◽  
Mao-Hua Du ◽  
Qiaoling Xu ◽  
Lijun Zhang ◽  
...  
Keyword(s):  
Global Optimization ◽  
First Principles ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Type Conductivity ◽  
P Type

Novel ternary alkaline-earth metal Sn(ii) oxides with potential good p-type conductivity are discovered with first-principles global optimization structure searches.

scholarly journals Manipulating intrinsic behaviors of graphene by substituting alkaline earth metal atoms in its structure

RSC Advances ◽  
2017 ◽  
Vol 7 (27) ◽  
pp. 16360-16370 ◽  
Author(s):  
Muhammad Rafique ◽  
Yong Shuai ◽  
He-Ping Tan ◽  
Muhammad Hassan
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Monolayer Graphene ◽  
Alkaline Earth Metal ◽  
First Principles Calculations ◽  
Metal Atoms

In this paper, the structural, electronic, magnetic and optical properties of alkaline earth metal (AEM) atom-doped monolayer graphene are investigated using first-principles calculations.

Adsorption of alkali and alkaline-earth metal atoms on stanene: A first-principles study

2016 ◽  
Vol 180 ◽  
pp. 326-331 ◽  
Author(s):  
Yelda Kadioglu ◽  
Fatih Ersan ◽  
Gökhan Gökoğlu ◽  
Olcay Üzengi Aktürk ◽  
Ethem Aktürk
Keyword(s):  
First Principles ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
First Principles Study ◽  
Metal Atoms

Promoting alkali and alkaline-earth metals on MgO for enhancing CO2capture by first-principles calculations

2014 ◽  
Vol 16 (45) ◽  
pp. 24818-24823 ◽  
Author(s):  
Kiwoong Kim ◽  
Jeong Woo Han ◽  
Kwang Soon Lee ◽  
Won Bo Lee
Keyword(s):  
First Principles ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metals ◽  
Alkaline Earth Metal ◽  
First Principles Calculations

Among 9 alkali and alkaline-earth metal promoters, Li, Ca, and Sr were identified as adequate promoters.

First-Principles Calculation of Solution Energy of Alkaline-Earth Metal Elements to BaTiO3

2007 ◽  
Vol 46 (10B) ◽  
pp. 7136-7140 ◽  
Author(s):  
Hiroki Moriwake ◽  
Tsukasa Hirayama ◽  
Yuichi Ikuhara ◽  
Isao Tanaka
Keyword(s):  
First Principles ◽  
Alkaline Earth ◽  
Earth Metal ◽  
First Principles Calculation ◽  
Alkaline Earth Metal ◽  
Metal Elements ◽  
Solution Energy
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