Density Functional Characterization of Pure and Alkaline Earth Metal-Doped Bi12GeO20, Bi12SiO20, and Bi12TiO20 Photocatalysts

ChemCatChem ◽  
2010 ◽  
Vol 3 (2) ◽  
pp. 378-385 ◽  
Author(s):  
Jibao Lu ◽  
Ying Dai ◽  
Yingtao Zhu ◽  
Baibiao Huang
Keyword(s):  
Density Functional ◽  
Alkaline Earth ◽  
Functional Characterization ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Metal Doped

Characterization of an alkaline earth metal-doped solid superacid and its activity for the esterification of oleic acid with methanol

2015 ◽  
Vol 17 (6) ◽  
pp. 3609-3620 ◽  
Author(s):  
Chien-Chang Huang ◽  
Chieh-Ju Yang ◽  
Pei-Jyuan Gao ◽  
Nai-Ci Wang ◽  
Ching-Lung Chen ◽  
...  
Keyword(s):  
Oleic Acid ◽  
Active Sites ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Schematic Diagram ◽  
Solid Superacid ◽  
Metal Doped ◽  
Barrier Zone

A schematic diagram for explaining the deactivation of the active sites located in the high diffusion barrier zone is shown.

Structure, stability and intramolecular interaction of M(N5)2(M = Mg, Ca, Sr and Ba) : a theoretical study

RSC Advances ◽  
2015 ◽  
Vol 5 (28) ◽  
pp. 21823-21830 ◽  
Author(s):  
Xueli Zhang ◽  
Junqing Yang ◽  
Ming Lu ◽  
Xuedong Gong
Keyword(s):  
Energetic Materials ◽  
Density Functional ◽  
Alkaline Earth ◽  
Theoretical Study ◽  
Intramolecular Interaction ◽  
Earth Metal ◽  
Structure Stability ◽  
Alkaline Earth Metal ◽  
Functional Theory ◽  
The Density Functional Theory

The potential energetic materials, alkaline earth metal complexes of the pentazole anion (M(N5)2, M = Mg2+, Ca2+, Sr2+and Ba2+), were studied using the density functional theory.

Controlling the electronic properties of 2D/3D pillared graphene and glass-like carbon via metal atom doping

Nanoscale ◽  
2019 ◽  
Vol 11 (35) ◽  
pp. 16414-16427 ◽  
Author(s):  
Michael M. Slepchenkov ◽  
Dmitry S. Shmygin ◽  
Gang Zhang ◽  
Olga E. Glukhova
Keyword(s):  
Electronic Properties ◽  
Metal Atom ◽  
Alkaline Earth ◽  
Earth Metal ◽  
New Method ◽  
Alkaline Earth Metal ◽  
Metal Doped

We propose a new method for controlling the electronic properties of alkaline earth metal doped nanoporous composites by varying the volume of doped nanopores.

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