Alkali metal doped nickel oxide clusters: A density functional study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2014.02.027 ◽

2014 ◽

Vol 1035 ◽

pp. 19-27 ◽

Author(s):

Sandip Kumavat ◽

Mrinalini Deshpande

Keyword(s):

Alkali Metal ◽

Nickel Oxide ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

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Density Functional Study of Hydrogen Adsorption on Alkali Metal Doped Carbon Nanotube

Journal of Computational and Theoretical Nanoscience ◽

10.1166/jctn.2014.3498 ◽

2014 ◽

Vol 11 (5) ◽

pp. 1317-1322 ◽

Author(s):

S. Zeynali ◽

S. Ketabi ◽

H. R. Aghabozorg

Keyword(s):

Carbon Nanotube ◽

Alkali Metal ◽

Density Functional ◽

Hydrogen Adsorption ◽

Functional Study ◽

Density Functional Study ◽

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Density Functional Theory and Time-Dependent Density-Functional Study of Positively Charged Alkali Metal Doped Stone Whale Defective Graphene Complexes

Asian Journal of Chemistry ◽

10.14233/ajchem.2015.16811 ◽

2015 ◽

Vol 27 (1) ◽

pp. 129-133

Author(s):

Bin Huang ◽

Cui Zhen Li ◽

Guo Ping Zhu

Keyword(s):

Density Functional Theory ◽

Alkali Metal ◽

Density Functional ◽

Time Dependent ◽

Functional Study ◽

Functional Theory ◽

Density Functional Study ◽

Metal Doped ◽

Positively Charged ◽

Dependent Density

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Small-radius clean and metal-doped boron carbide nanotubes: A density functional study

Physical Review B ◽

10.1103/physrevb.74.125421 ◽

2006 ◽

Vol 74 (12) ◽

Author(s):

Olena Ponomarenko ◽

M. W. Radny ◽

P. V. Smith

Keyword(s):

Boron Carbide ◽

Density Functional ◽

Small Radius ◽

Functional Study ◽

Density Functional Study ◽

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Clean and metal-doped bundles of boron-carbide nanotubes: A density functional study

Physical Review B ◽

10.1103/physrevb.76.035414 ◽

2007 ◽

Vol 76 (3) ◽

Author(s):

O. Ponomarenko ◽

M. W. Radny ◽

P. V. Smith

Keyword(s):

Boron Carbide ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

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Density functional study of ferromagnetism in alkali metal thin films

Pramana ◽

10.1007/s12043-010-0057-0 ◽

2010 ◽

Vol 74 (4) ◽

pp. 653-659 ◽

Author(s):

Prasenjit Sen

Keyword(s):

Alkali Metal ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Metal Thin Films

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Density Functional Study on the Structural, Electronic, and Magnetic Properties of 3d Transition-Metal-Doped Au5 Clusters

The Journal of Physical Chemistry A ◽

10.1021/jp503391p ◽

2014 ◽

Vol 118 (22) ◽

pp. 4005-4012 ◽

Author(s):

Zheng Ben-Xia ◽

Die Dong ◽

Wang Ling ◽

Yang Ji-Xian

Keyword(s):

Magnetic Properties ◽

Transition Metal ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Electronic And Magnetic Properties ◽

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Density functional study of isoguanine tetrad and pentad sandwich complexes with alkali metal ions

Journal of Molecular Modeling ◽

10.1007/s00894-006-0148-5 ◽

2006 ◽

Vol 13 (2) ◽

pp. 335-345 ◽

Author(s):

Michael Meyer ◽

Thomas Steinke ◽

Jürgen Sühnel

Keyword(s):

Alkali Metal ◽

Density Functional ◽

Functional Study ◽

Alkali Metal Ions ◽

Sandwich Complexes ◽

Density Functional Study

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Density functional study of alkali-metal atoms and monolayers on graphite (0001)

Physical Review B ◽

10.1103/physrevb.75.075401 ◽

2007 ◽

Vol 75 (7) ◽

Author(s):

K. Rytkönen ◽

J. Akola ◽

M. Manninen

Keyword(s):

Alkali Metal ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

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Van der Waals density functional study of the energetics of alkali metal intercalation in graphite

RSC Advances ◽

10.1039/c3ra47187j ◽

2014 ◽

Vol 4 (8) ◽

pp. 3973-3983 ◽

Author(s):

Zhaohui Wang ◽

Sverre M. Selbach ◽

Tor Grande

Keyword(s):

Alkali Metal ◽

Density Functional ◽

Van Der Waals ◽

Functional Study ◽

Density Functional Study

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Reversible hydrogen storage on alkali metal (Li and Na) decorated C20 fullerene: A density functional study

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2021.09.219 ◽

2021 ◽

Author(s):

Rakesh K. Sahoo ◽

Brahmananda Chakraborty ◽

Sridhar Sahu

Keyword(s):

Alkali Metal ◽

Hydrogen Storage ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

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