Shapes matter: examining the optical response evolution in stretched aluminium nanoparticles via time-dependent density functional theory

Junais Habeeb Mokkath

doi:10.1039/c7cp07151e

Shapes matter: examining the optical response evolution in stretched aluminium nanoparticles via time-dependent density functional theory

Physical Chemistry Chemical Physics ◽

10.1039/c7cp07151e ◽

2018 ◽

Vol 20 (1) ◽

pp. 51-55 ◽

Cited By ~ 17

Author(s):

Junais Habeeb Mokkath

Keyword(s):

Density Functional Theory ◽

First Principles ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Optical Response ◽

Shape Anisotropy ◽

Time Dependent ◽

Functional Theory ◽

Stretching Process ◽

Dependent Density

Using first-principles time-dependent density functional theory calculations, we investigate the shape-anisotropy effects on the optical response of a spherical aluminium nanoparticle subjected to a stretching process in different directions.

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Localized surface plasmon resonance in silver nanoparticles: Atomistic first-principles time-dependent density-functional theory calculations

Physical Review B ◽

10.1103/physrevb.91.115431 ◽

2015 ◽

Vol 91 (11) ◽

Cited By ~ 86

Author(s):

M. Kuisma ◽

A. Sakko ◽

T. P. Rossi ◽

A. H. Larsen ◽

J. Enkovaara ◽

...

Keyword(s):

Density Functional Theory ◽

Silver Nanoparticles ◽

First Principles ◽

Localized Surface Plasmon Resonance ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Localized Surface Plasmon ◽

Functional Theory ◽

Dependent Density

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Electric field amplification of plasmon‐molecule hybrids revealed by first‐principles time dependent density functional theory calculations

International Journal of Quantum Chemistry ◽

10.1002/qua.26021 ◽

2019 ◽

Vol 119 (23) ◽

Cited By ~ 2

Author(s):

Mufasila M. Muhammed ◽

Joicy John ◽

Junais H. Mokkath

Keyword(s):

Density Functional Theory ◽

Electric Field ◽

First Principles ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Functional Theory ◽

Field Amplification ◽

Dependent Density

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First-principles correction scheme for linear-response time-dependent density functional theory calculations of core electronic states

The Journal of Chemical Physics ◽

10.1063/5.0058124 ◽

2021 ◽

Vol 155 (3) ◽

pp. 034108

Author(s):

Augustin Bussy ◽

Jürg Hutter

Keyword(s):

Density Functional Theory ◽

First Principles ◽

Linear Response ◽

Density Functional ◽

Electronic States ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Functional Theory ◽

Correction Scheme ◽

Dependent Density

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Ground- and excited-state characteristics in photovoltaic polymer N2200

RSC Advances ◽

10.1039/d1ra01474a ◽

2021 ◽

Author(s):

Guanzhao Wen ◽

Xianshao Zou ◽

Rong Hu ◽

Jun Peng ◽

Zhifeng Chen ◽

...

Keyword(s):

Density Functional Theory ◽

Excited State ◽

Steady State ◽

Excited States ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Functional Theory ◽

Time Resolved ◽

Dependent Density

Ground- and excited-states properties of N2200 have been studied by steady-state and time-resolved spectroscopies as well as time-dependent density functional theory calculations.

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Optical Properties of Silver Nanoshells from Time-Dependent Density Functional Theory Calculations

The Journal of Physical Chemistry C ◽

10.1021/jp5016565 ◽

2014 ◽

Vol 118 (23) ◽

pp. 12450-12458 ◽

Cited By ~ 23

Author(s):

Giovanni Barcaro ◽

Luca Sementa ◽

Alessandro Fortunelli ◽

Mauro Stener

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Functional Theory ◽

Silver Nanoshells ◽

Dependent Density

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Self-interaction-corrected time-dependent density-functional-theory calculations of x-ray-absorption spectra

Physical Review A ◽

10.1103/physreva.76.022506 ◽

2007 ◽

Vol 76 (2) ◽

Cited By ~ 41

Author(s):

Guangde Tu ◽

Zilvinas Rinkevicius ◽

Olav Vahtras ◽

Hans Ågren ◽

Ulf Ekström ◽

...

Keyword(s):

Density Functional Theory ◽

Absorption Spectra ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Functional Theory ◽

X Ray ◽

X Ray Absorption ◽

Dependent Density

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Time-Dependent Density Functional Theory Calculations of Photoabsorption Spectra in the Vacuum Ultraviolet Region

The Journal of Physical Chemistry A ◽

10.1021/jp003937v ◽

2001 ◽

Vol 105 (20) ◽

pp. 4953-4962 ◽

Cited By ~ 167

Author(s):

Nobuyuki N. Matsuzawa ◽

Akihiko Ishitani ◽

David A. Dixon ◽

Tsuyoshi Uda

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Vacuum Ultraviolet ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Ultraviolet Region ◽

Functional Theory ◽

Vacuum Ultraviolet Region ◽

Dependent Density

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Time-dependent density functional theory calculations for the excitation spectra of III-V ternary alloys

Physical Review B ◽

10.1103/physrevb.96.085202 ◽

2017 ◽

Vol 96 (8) ◽

Cited By ~ 6

Author(s):

Zhenhua Ning ◽

Ching-Tarng Liang ◽

Yia-Chung Chang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Ternary Alloys ◽

Time Dependent ◽

Excitation Spectra ◽

Functional Theory ◽

Dependent Density

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D–A–D-type narrow-bandgap small-molecule photovoltaic donors: pre-synthesis virtual screening using density functional theory

Physical Chemistry Chemical Physics ◽

10.1039/c5cp07536j ◽

2016 ◽

Vol 18 (22) ◽

pp. 15054-15059 ◽

Cited By ~ 9

Author(s):

Yeongrok Gim ◽

Daekyeom Kim ◽

Minkyu Kyeong ◽

Seunghwan Byun ◽

Yuri Park ◽

...

Keyword(s):

Density Functional Theory ◽

Virtual Screening ◽

Small Molecule ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Time Dependent ◽

Functional Theory ◽

Narrow Bandgap ◽

Dependent Density

A new series of D–A–D-type small-molecule photovoltaic donors are designed and screened before synthesis using time-dependent density functional theory calculations.

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Corrigendum: First principles calculation of field emission from nanostructures using time-dependent density functional theory: A simplified approach

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2015.09.029 ◽

2016 ◽

Vol 83 ◽

pp. 511

Author(s):

Sherif A. Tawfik ◽

S.M. El-Sheikh ◽

N.M. Salem

Keyword(s):

Density Functional Theory ◽

Field Emission ◽

First Principles ◽

Density Functional ◽

Time Dependent ◽

First Principles Calculation ◽

Functional Theory ◽

Simplified Approach ◽

Dependent Density

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