Optical properties of pure graphene in various forms: a time dependent density functional theory study

Optical absorption in graphene nano-ribbons (GNRs) of various shapes and isomeric forms was studied using time dependent density functional theory based calculations. The highest oscillator strength was found for rectangular GNRs.

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The effect of oxide shell thickness on the structural, electronic, and optical properties of Si-SiO2 core-shell nano-crystals: A (time dependent)density functional theory study

Journal of Applied Physics ◽

10.1063/1.4945392 ◽

2016 ◽

Vol 119 (14) ◽

pp. 144302 ◽

Cited By ~ 4

Author(s):

Sanaz Nazemi ◽

Mahdi Pourfath ◽

Ebrahim Asl Soleimani ◽

Hans Kosina

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Shell Thickness ◽

Time Dependent ◽

Oxide Shell ◽

Core Shell ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density

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Optical absorption spectra of boron clusters Bn (n = 2–5) for application in nano scintillator – a time dependent density functional theory study

The European Physical Journal B ◽

10.1140/epjb/e2016-70341-x ◽

2016 ◽

Vol 89 (9) ◽

Cited By ~ 4

Author(s):

Rajendra K. Shivade ◽

Brahmananda Chakraborty

Keyword(s):

Density Functional Theory ◽

Optical Absorption ◽

Absorption Spectra ◽

Density Functional ◽

Time Dependent ◽

Optical Absorption Spectra ◽

Density Functional Theory Study ◽

Functional Theory ◽

Boron Clusters ◽

Dependent Density

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Electronic and optical properties of families of polycyclic aromatic hydrocarbons: A systematic (time-dependent) density functional theory study

Chemical Physics ◽

10.1016/j.chemphys.2011.04.013 ◽

2011 ◽

Vol 384 (1-3) ◽

pp. 19-27 ◽

Cited By ~ 106

Author(s):

G. Malloci ◽

G. Cappellini ◽

G. Mulas ◽

A. Mattoni

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Polycyclic Aromatic Hydrocarbons ◽

Aromatic Hydrocarbons ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Polycyclic Aromatic ◽

Dependent Density

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Optical Properties of Monolayer-Protected Aluminum Clusters: Time-Dependent Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.5b05894 ◽

2015 ◽

Vol 119 (33) ◽

pp. 19539-19547 ◽

Cited By ~ 8

Author(s):

Johan Lindgren ◽

Andre Clayborne ◽

Lauri Lehtovaara

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Aluminum Clusters ◽

Functional Theory ◽

Dependent Density

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The electronic and optical properties of the sulvanite compounds: a many-body perturbation and time-dependent density functional theory study

Journal of Physics Condensed Matter ◽

10.1088/1361-648x/aa9deb ◽

2017 ◽

Vol 30 (3) ◽

pp. 035502 ◽

Cited By ~ 1

Author(s):

W F Espinosa-García ◽

S Pérez-Walton ◽

J M Osorio-Guillén ◽

C Moyses Araujo

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Many Body ◽

Functional Theory ◽

Electronic And Optical Properties ◽

Dependent Density

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Time-dependent density functional theory study on optical properties of GaN doped with alkaline-earth atom

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2008.12.016 ◽

2009 ◽

Vol 900 (1-3) ◽

pp. 27-32 ◽

Cited By ~ 5

Author(s):

Xiaolin Hu ◽

Junqian Li ◽

Yongfan Zhang ◽

Haohong Li ◽

Yi Li

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Alkaline Earth ◽

Time Dependent ◽

Density Functional Theory Study ◽

Functional Theory ◽

Dependent Density ◽

Alkaline Earth Atom

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Vibronic spectra of the lower excited singlet states of styrene: A Time Dependent Density Functional Theory study

Chemical Physics Letters ◽

10.1016/j.cplett.2006.12.103 ◽

2007 ◽

Vol 435 (4-6) ◽

pp. 224-229 ◽

Cited By ~ 14

Author(s):

Mattijs de Groot ◽

Wybren Jan Buma

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Density Functional Theory Study ◽

Excited Singlet ◽

Functional Theory ◽

Vibronic Spectra ◽

Singlet States ◽

Excited Singlet States ◽

Dependent Density

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Optical properties of dye sensitized TiO2 nanowires from time-dependent density functional theory

physica status solidi (RRL) - Rapid Research Letters ◽

10.1002/pssr.201105241 ◽

2011 ◽

Vol 5 (8) ◽

pp. 259-261 ◽

Cited By ~ 3

Author(s):

Dick Hartmann Douma ◽

Ralph Gebauer

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Density Functional ◽

Time Dependent ◽

Tio2 Nanowires ◽

Functional Theory ◽

Dye Sensitized ◽

Dependent Density

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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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Time-Dependent Density Functional Theory Study of the Luminescence Properties of Gold Phosphine Thiolate Complexes

The Journal of Physical Chemistry A ◽

10.1021/jp5104033 ◽

2015 ◽

Vol 119 (14) ◽

pp. 3337-3347 ◽

Cited By ~ 10

Author(s):

Emilie B. Guidez ◽

Christine M. Aikens

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Time Dependent ◽

Luminescence Properties ◽

Density Functional Theory Study ◽

Functional Theory ◽

Thiolate Complexes ◽

Dependent Density

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