Structural and electronic properties of TaSi[sub n] (n=1–13) clusters: A relativistic density functional investigation

Ping Guo; Zhao-Yu Ren; Fan Wang; Jiang Bian; Ju-Guang Han; Guang-Hou Wang

doi:10.1063/1.1809609

Structural and electronic properties of TaSi[sub n] (n=1–13) clusters: A relativistic density functional investigation

The Journal of Chemical Physics ◽

10.1063/1.1809609 ◽

2004 ◽

Vol 121 (24) ◽

pp. 12265 ◽

Cited By ~ 63

Author(s):

Ping Guo ◽

Zhao-Yu Ren ◽

Fan Wang ◽

Jiang Bian ◽

Ju-Guang Han ◽

...

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Structural And Electronic Properties ◽

Functional Investigation

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Size Dependent Structural and Electronic Properties of Graphene Nanoribbons: A Density Functional Investigation

Advanced Science Letters ◽

10.1166/asl.2015.6356 ◽

2015 ◽

Vol 21 (9) ◽

pp. 2709-2712

Author(s):

Sandeep Kumar ◽

Hitesh Sharma

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Graphene Nanoribbons ◽

Size Dependent ◽

Structural And Electronic Properties ◽

Functional Investigation

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A density functional investigation on the structural and electronic properties of niobium–silsesquioxane and niobium-2,2′-thiobisphenolic frameworks as models of an oxo surface

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(01)00734-5 ◽

2002 ◽

Vol 579 (1-3) ◽

pp. 181-189 ◽

Cited By ~ 2

Author(s):

P Belanzoni ◽

M Rosi ◽

A Sgamellotti

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Structural And Electronic Properties ◽

Functional Investigation

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Density functional investigation of structural and electronic properties of small bimetallic silver–gold clusters

Physica B Condensed Matter ◽

10.1016/j.physb.2012.01.131 ◽

2012 ◽

Vol 407 (12) ◽

pp. 2014-2024 ◽

Cited By ~ 19

Author(s):

M.A. Tafoughalt ◽

M. Samah

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Gold Clusters ◽

Structural And Electronic Properties ◽

Functional Investigation

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Density functional investigation on structural and electronic properties of small bimetallic Pb n Ag n (n=2–12) clusters

Journal of Central South University ◽

10.1007/s11771-018-3782-z ◽

2018 ◽

Vol 25 (4) ◽

pp. 772-782 ◽

Cited By ~ 1

Author(s):

Gao-feng Li ◽

Jia-ju Wang ◽

Xiu-min Chen ◽

Hong-wei Yang ◽

Bin Yang ◽

...

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Structural And Electronic Properties ◽

Functional Investigation

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Effect of transition metals doping on the structural and electronic properties of LiMnPO4: spin density functional investigation

Physica Scripta ◽

10.1088/1402-4896/ab6aff ◽

2020 ◽

Vol 95 (4) ◽

pp. 045811 ◽

Cited By ~ 1

Author(s):

Worasak Sukkabot

Keyword(s):

Transition Metals ◽

Electronic Properties ◽

Spin Density ◽

Density Functional ◽

Structural And Electronic Properties ◽

Functional Investigation

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Ni-doping effects on the c-BN structural and electronic properties from density functional theory calculations

Journal of Physics Conference Series ◽

10.1088/1742-6596/1951/1/012010 ◽

2021 ◽

Vol 1951 (1) ◽

pp. 012010

Author(s):

M R Ramadhan ◽

M Z Piliang

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Ni Doping ◽

Functional Theory ◽

Doping Effects ◽

Structural And Electronic Properties

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Structural and electronic properties of AlY (Y B, N, O) dual-doped twin graphene: A density functional theory study

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2021.114619 ◽

2021 ◽

Vol 128 ◽

pp. 114619

Author(s):

Bing-Yi Yu ◽

You Xie ◽

Xiu Wu ◽

Yue Gao ◽

Su-Fang Wang ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Structural And Electronic Properties

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Understanding the Structural and Electronic Properties of Photoactive Tungsten Oxide Nanoparticles from Density Functional Theory and GW Approaches

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.1c00293 ◽

2021 ◽

Author(s):

Valentin Diez-Cabanes ◽

Ángel Morales-García ◽

Francesc Illas ◽

Mariachiara Pastore

Keyword(s):

Density Functional Theory ◽

Tungsten Oxide ◽

Electronic Properties ◽

Density Functional ◽

Oxide Nanoparticles ◽

Functional Theory ◽

Structural And Electronic Properties ◽

Tungsten Oxide Nanoparticles

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Structural and electronic properties of small Cun clusters using generalized-gradient approximations within density functional theory

The Journal of Chemical Physics ◽

10.1063/1.477313 ◽

1998 ◽

Vol 109 (16) ◽

pp. 6626-6630 ◽

Cited By ~ 67

Author(s):

Carlo Massobrio ◽

Alfredo Pasquarello ◽

Andrea Dal Corso

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Generalized Gradient ◽

Functional Theory ◽

Structural And Electronic Properties

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Density functional study on structural and electronic properties of bimetallic gold–yttrium clusters: comparison with pure gold and yttrium clusters

Chinese Physics B ◽

10.1088/1674-1056/17/6/028 ◽

2008 ◽

Vol 17 (6) ◽

pp. 2110-2115 ◽

Cited By ~ 5

Author(s):

Mao Hua-Ping ◽

Wang Hong-Yan ◽

Sheng Yong

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Pure Gold ◽

Functional Study ◽

Density Functional Study ◽

Structural And Electronic Properties

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