Effect of Cu-doped site and charge on the optical and magnetic properties of 55-atom Ag cluster: A density functional theory study

Computational Materials Science ◽

10.1016/j.commatsci.2013.09.022 ◽

2014 ◽

Vol 81 ◽

pp. 587-594 ◽

Author(s):

Weiyin Li ◽

Fuyi Chen

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Cluster A ◽

Optical And Magnetic Properties ◽

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A density functional theory study of structural, electronic, optical and magnetic properties of small Ag–Cu nanoalloys

Journal of Nanoparticle Research ◽

10.1007/s11051-013-1809-9 ◽

2013 ◽

Vol 15 (7) ◽

Author(s):

Weiyin Li ◽

Fuyi Chen

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Optical And Magnetic Properties

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Density Functional Theory Study on Electronic and Magnetic Properties of Mn‐Doped (MgO)n (n=2–10) Clusters

Chinese Journal of Chemical Physics ◽

10.1063/1674-0068/26/01/35-42 ◽

2013 ◽

Vol 26 (1) ◽

pp. 35-42 ◽

Author(s):

Peng Wang ◽

Ming‐xia Yang ◽

Sheng‐li Zhang ◽

Shi‐ping Huang ◽

Hui‐ping Tian

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties ◽

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Structural, optical, electronic, and magnetic properties of Ag-Cu bimetallic clusters: a density functional theory study

Journal of Nanoparticle Research ◽

10.1007/s11051-018-4292-5 ◽

2018 ◽

Vol 20 (7) ◽

Author(s):

Li Wei-yin ◽

Zhang Sha ◽

Hai Lian

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Bimetallic Clusters ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties

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A density functional theory study of structural, electronic and magnetic properties of small PdnAg (n = 1–8) clusters

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2018.01.005 ◽

2018 ◽

Vol 1125 ◽

pp. 103-111 ◽

Author(s):

Faisal Al-Odail ◽

Javed Mazher ◽

Ahmed M. Abuelela

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties

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Cooperative H2 Activation at Ag Cluster/θ-Al2O3(110) Dual Perimeter Sites: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/jp5000792 ◽

2014 ◽

Vol 118 (15) ◽

pp. 7996-8006 ◽

Author(s):

Pussana Hirunsit ◽

Ken-ichi Shimizu ◽

Ryoichi Fukuda ◽

Supawadee Namuangruk ◽

Yoshitada Morikawa ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

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Electronic and Magnetic Properties of the Bulk and Surfaces of Rock salt KM (M = Se and Te): A Density Functional Theory Study

Journal of Superconductivity and Novel Magnetism ◽

10.1007/s10948-015-3245-9 ◽

2015 ◽

Vol 29 (1) ◽

pp. 215-226 ◽

Author(s):

Mohammad Rostami ◽

Mahmood Moradi

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Rock Salt ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties

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Structure, stability and magnetic properties of the Fe3O4(110) surface: Density functional theory study

Surface Science ◽

10.1016/j.susc.2006.10.037 ◽

2007 ◽

Vol 601 (3) ◽

pp. 876-882 ◽

Author(s):

Y.L. Li ◽

K.L. Yao ◽

Z.L. Liu

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Surface Density ◽

Density Functional ◽

Structure Stability ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of small X-doped Mg n (X = Fe, Co, Ni, n = 1–9) bimetallic clusters: equilibrium structures, stabilities, electronic and magnetic properties

Journal of Molecular Modeling ◽

10.1007/s00894-014-2087-x ◽

2014 ◽

Vol 20 (3) ◽

Author(s):

Fanjie Kong ◽

Yanfei Hu

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Bimetallic Clusters ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties ◽

Small X ◽

Equilibrium Structures

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Geometries, stabilities, electronic, and magnetic properties of small aluminum cluster anions doped with iron: A density functional theory study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2011.11.002 ◽

2012 ◽

Vol 980 ◽

pp. 7-14 ◽

Author(s):

Chen-Ju Wang ◽

Xiao-Yu Kuang ◽

Huai-Qian Wang ◽

Hui-Fang Li ◽

Ai-Jie Mao

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Cluster Anions ◽

Density Functional Theory Study ◽

Aluminum Cluster ◽

Functional Theory ◽

Electronic And Magnetic Properties

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Geometries, stabilities, electronic and magnetic properties of small aluminum cluster anions doped with cobalt: A density functional theory study

Journal of Structural Chemistry ◽

10.1134/s0022476616010054 ◽

2016 ◽

Vol 57 (1) ◽

pp. 33-46

Author(s):

L. Zhang ◽

C.-Y. Zhang ◽

X.-H. Song ◽

B.-Q. Wang ◽

J. Zhang

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Cluster Anions ◽

Density Functional Theory Study ◽

Aluminum Cluster ◽

Functional Theory ◽

Electronic And Magnetic Properties

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