Bulk Structural and Electronic Properties at the Density Functional Theory and Post-Density Functional Theory Level of Calculation

Theoretical Modeling of Organohalide Perovskites for Photovoltaic Applications ◽

10.4324/9781315152424-2 ◽

2017 ◽

pp. 43-86

Author(s):

Claudia Caddeo ◽

Alessandro Mattoni ◽

Alessio Filippetti ◽

Mao-Hua Du

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Functional Theory ◽

Density Functional Theory Level ◽

The Density Functional Theory ◽

Structural And Electronic Properties

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Bulk Structural and Electronic Properties at the Density Functional Theory and Post-Density Functional Theory Level of Calculation

Theoretical Modeling of Organohalide Perovskites for Photovoltaic Applications ◽

10.1201/9781315152424-3 ◽

2017 ◽

pp. 43-86

Author(s):

Claudia Caddeo ◽

Alessandro Mattoni ◽

Alessio Filippetti ◽

Mao Du

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Functional Theory ◽

Density Functional Theory Level ◽

The Density Functional Theory ◽

Structural And Electronic Properties

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Comparison of the effects of Sr2+ and Ca2+ substitution on the structural and electronic properties of the perovskites CH3NH3Pb1-Y I3 (Y Sr, Ca) by using the Density Functional Theory

Physica B Condensed Matter ◽

10.1016/j.physb.2020.412579 ◽

2021 ◽

Vol 600 ◽

pp. 412579

Author(s):

C. Soykan ◽

H. Gocmez

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Functional Theory ◽

The Density Functional Theory ◽

Structural And Electronic Properties

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Study of the Structural and Electronic Properties of RhNand RuNClusters (N< 20) within the Density Functional Theory

The Journal of Physical Chemistry A ◽

10.1021/jp905188t ◽

2009 ◽

Vol 113 (48) ◽

pp. 13483-13491 ◽

Author(s):

F. Aguilera-Granja ◽

L. C. Balbás ◽

A. Vega

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Functional Theory ◽

The Density Functional Theory ◽

Structural And Electronic Properties

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Small Tin Oxide Grains: Structural and Electronic Properties Evaluated using the Density Functional Theory

Journal of Cluster Science ◽

10.1007/s10876-007-0106-0 ◽

2007 ◽

Vol 18 (2) ◽

pp. 459-471

Author(s):

A. M. Mazzone

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Tin Oxide ◽

Density Functional ◽

Functional Theory ◽

The Density Functional Theory ◽

Structural And Electronic Properties

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The Structural and Electronic Properties of Tin-Based Heteroatom Clusters Studied by the Density Functional Theory

Journal of Cluster Science ◽

10.1007/s10876-007-0134-9 ◽

2007 ◽

Vol 18 (4) ◽

pp. 797-815

Author(s):

Anna Maria Mazzone

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Functional Theory ◽

The Density Functional Theory ◽

Structural And Electronic Properties

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Structural and electronic properties of MgGe x Sn(1-x)N2 semiconductors: The density functional theory investigation

Journal of Physics Conference Series ◽

10.1088/1742-6596/1144/1/012149 ◽

2018 ◽

Vol 1144 ◽

pp. 012149 ◽

Author(s):

K Kanchiang ◽

T Cheiwchanchamnangij ◽

Y Laosiritaworn ◽

S Pramchu ◽

A P Jaroenjittichai

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Functional Theory ◽

The Density Functional Theory ◽

Structural And Electronic Properties

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Small tin oxide grains: structural and electronic properties evaluated using the density functional theory

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/19/2/026214 ◽

2006 ◽

Vol 19 (2) ◽

pp. 026214 ◽

Author(s):

A M Mazzone

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Tin Oxide ◽

Density Functional ◽

Functional Theory ◽

The Density Functional Theory ◽

Structural And Electronic Properties

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Structural and electronic properties of Aun−xPtx (n = 2–14; x ⩽ n) clusters: The density functional theory investigation

AIP Advances ◽

10.1063/1.4869019 ◽

2014 ◽

Vol 4 (3) ◽

pp. 037107 ◽

Author(s):

H. K. Yuan ◽

A. L. Kuang ◽

C. L. Tian ◽

H. Chen

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Functional Theory ◽

The Density Functional Theory ◽

Structural And Electronic Properties

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The structural and electronic properties of compound SnmOn clusters studied by the Density Functional Theory

The European Physical Journal B ◽

10.1140/epjb/e2006-00227-5 ◽

2006 ◽

Vol 51 (3) ◽

pp. 307-313 ◽

Author(s):

A. M. Mazzone ◽

V. Morandi

Keyword(s):

Density Functional Theory ◽

Electronic Properties ◽

Density Functional ◽

Functional Theory ◽

The Density Functional Theory ◽

Structural And Electronic Properties

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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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