Probing the structural and electronic properties of doped gallium oxide and sulfide, M(GaX2)2 where M = alkali or coinage metal; X = O, S

N. Seeburrun; I. A. Alswaidan; H.-K. Fun; E. F. Archibong; P. Ramasami

doi:10.1039/c5ra19970k

Probing the structural and electronic properties of doped gallium oxide and sulfide, M(GaX2)2 where M = alkali or coinage metal; X = O, S

RSC Advances ◽

10.1039/c5ra19970k ◽

2015 ◽

Vol 5 (128) ◽

pp. 106141-106150

Author(s):

N. Seeburrun ◽

I. A. Alswaidan ◽

H.-K. Fun ◽

E. F. Archibong ◽

P. Ramasami

Keyword(s):

Electronic Properties ◽

Gallium Oxide ◽

Theoretical Study ◽

Vibrational Frequencies ◽

Coinage Metal ◽

Structural And Electronic Properties ◽

Sulfide Clusters ◽

Equilibrium Geometries

A theoretical study on the equilibrium geometries, vibrational frequencies and electronic features of a series of doped gallium oxide and sulfide clusters, M(GaX2)2 (M = alkali or coinage metal; X = O or S), was conducted.

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Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study

Chemical Science ◽

10.1039/c3sc51641e ◽

2013 ◽

Vol 4 (12) ◽

pp. 4470 ◽

Cited By ~ 6

Author(s):

Zhanyong Li ◽

Helen T. Chifotides ◽

Kim R. Dunbar

Keyword(s):

Electronic Properties ◽

Theoretical Study ◽

Structural And Electronic Properties ◽

Methyl Isocyanide

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Structural and Electronic Properties of Cadmium Sulfide Clusters

The Journal of Physical Chemistry B ◽

10.1021/jp993512c ◽

2000 ◽

Vol 104 (12) ◽

pp. 2617-2622 ◽

Cited By ~ 77

Author(s):

Jan-Ole Joswig ◽

Michael Springborg ◽

Gotthard Seifert

Keyword(s):

Cadmium Sulfide ◽

Electronic Properties ◽

Structural And Electronic Properties ◽

Sulfide Clusters

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Experimental and theoretical study on structural and electronic properties of LaPO4:Ln3+ (Ln = Sm, Gd and Tb)

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2015.01.209 ◽

2015 ◽

Vol 632 ◽

pp. 269-273 ◽

Cited By ~ 6

Author(s):

Xiaoyan Wang ◽

Xin Wang ◽

Xudong Zheng ◽

Luo Zhang

Keyword(s):

Electronic Properties ◽

Theoretical Study ◽

Structural And Electronic Properties

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A theoretical study of structural and electronic properties of pentacene/Al(100) interface

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2012.06.008 ◽

2012 ◽

Vol 38 ◽

pp. 334-341 ◽

Cited By ~ 10

Author(s):

G. Saranya ◽

Shiny Nair ◽

V. Natarajan ◽

P. Kolandaivel ◽

K. Senthilkumar

Keyword(s):

Electronic Properties ◽

Theoretical Study ◽

Structural And Electronic Properties

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STRUCTURAL AND ELECTRONIC PROPERTIES OF (CnLi)+ CLUSTER IONS

International Journal of Modern Physics C ◽

10.1142/s012918310500708x ◽

2005 ◽

Vol 16 (02) ◽

pp. 271-280

Author(s):

EFE YAZGAN ◽

ŞAKIR ERKOÇ

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Vibrational Frequencies ◽

Cluster Ions ◽

Functional Theory ◽

B3lyp Level ◽

Structural And Electronic Properties

The structural and electronic properties of ( C n Li )+ cluster ions with n =1–6 and n =20 have been investigated by performing density functional theory calculations at B3LYP level. The vibrational frequencies of the clusters are also calculated.

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Mixed Uranium Chloride Fluorides UF6-nClnand Methoxyuranium Fluorides UF6-n(OCH3)n: A Theoretical Study of Equilibrium Geometries, Vibrational Frequencies, and the Role of the f Orbitals

Inorganic Chemistry ◽

10.1021/ic9910615 ◽

2000 ◽

Vol 39 (6) ◽

pp. 1265-1274 ◽

Cited By ~ 21

Author(s):

Georg Schreckenbach

Keyword(s):

Theoretical Study ◽

Vibrational Frequencies ◽

Equilibrium Geometries

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Experimental and First-Principles Theoretical Study of Structural and Electronic Properties in Tantalum-Doped In2O3Semiconductor: Finding a Definitive Hyperfine Interaction Assignment

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.5b11155 ◽

2016 ◽

Vol 120 (10) ◽

pp. 5640-5650 ◽

Cited By ~ 7

Author(s):

Diego Richard ◽

Germán N. Darriba ◽

Emiliano L. Muñoz ◽

Leonardo A. Errico ◽

Paul D. Eversheim ◽

...

Keyword(s):

Hyperfine Interaction ◽

Electronic Properties ◽

First Principles ◽

Theoretical Study ◽

Structural And Electronic Properties

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Structural and electronic properties of UnOm (n=1-3,m=1-3n) clusters: A theoretical study using screened hybrid density functional theory

The Journal of Chemical Physics ◽

10.1063/1.4948779 ◽

2016 ◽

Vol 144 (18) ◽

pp. 184304 ◽

Cited By ~ 5

Author(s):

Yu Yang ◽

Haitao Liu ◽

Ping Zhang

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Theoretical Study ◽

Hybrid Density Functional Theory ◽

Functional Theory ◽

Structural And Electronic Properties ◽

Hybrid Density Functional

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Theoretical Study of the Structural and Electronic Properties of SimGenand SimGen-(s=m+n≤ 7) Clusters

The Journal of Physical Chemistry A ◽

10.1021/jp711172n ◽

2008 ◽

Vol 112 (11) ◽

pp. 2235-2241 ◽

Cited By ~ 10

Author(s):

Dan Bing ◽

Quoc Chinh Nguyen ◽

Xiao-feng Fan ◽

Jer-Lai Kuo

Keyword(s):

Electronic Properties ◽

Theoretical Study ◽

Structural And Electronic Properties

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Inorganic Electride: Theoretical Study on Structural and Electronic Properties

Journal of the American Chemical Society ◽

10.1021/ja034020n ◽

2003 ◽

Vol 125 (20) ◽

pp. 6050-6051 ◽

Cited By ~ 28

Author(s):

Zhenyu Li ◽

Jinlong Yang ◽

J. G. Hou ◽

Qingshi Zhu

Keyword(s):

Electronic Properties ◽

Theoretical Study ◽

Structural And Electronic Properties

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