Investigations of electronic and nonlinear optical properties of single alkali metal adsorbed graphene, graphyne and graphdiyne systems by first-principles calculations

Xiaojun Li; Shikun Li

doi:10.1039/c8tc05392h

Investigations of electronic and nonlinear optical properties of single alkali metal adsorbed graphene, graphyne and graphdiyne systems by first-principles calculations

Journal of Materials Chemistry C ◽

10.1039/c8tc05392h ◽

2019 ◽

Vol 7 (6) ◽

pp. 1630-1640 ◽

Cited By ~ 35

Author(s):

Xiaojun Li ◽

Shikun Li

Keyword(s):

Optical Properties ◽

Alkali Metal ◽

First Principles ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

First Hyperpolarizability ◽

First Principles Calculations ◽

Metal Atoms ◽

Nlo Materials ◽

Carbon Based

Novel carbon-based nonlinear optical (NLO) materials were designed by doping single alkali metal atoms into the surface of graphdiyne (GDY), rather than graphene and graphyne, because AM@GDY (AM = Li, Na, K) possesses an exceptionally high first hyperpolarizability (βtot), especially in the case of K@GDY.

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Linear and nonlinear optical properties of carbon nanotubes from first-principles calculations

Physical Review B ◽

10.1103/physrevb.69.205416 ◽

2004 ◽

Vol 69 (20) ◽

Cited By ~ 198

Author(s):

G. Y. Guo ◽

K. C. Chu ◽

Ding-sheng Wang ◽

Chun-gang Duan

Keyword(s):

Carbon Nanotubes ◽

Optical Properties ◽

First Principles ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

First Principles Calculations ◽

Linear And Nonlinear

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Excitonic effects on the linear and nonlinear optical properties of solid C60 fullerene, insights from many-body first-principles calculations

Carbon ◽

10.1016/j.carbon.2021.11.038 ◽

2021 ◽

Author(s):

You-Zhao Lan

Keyword(s):

Optical Properties ◽

First Principles ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

C60 Fullerene ◽

First Principles Calculations ◽

Many Body ◽

Linear And Nonlinear ◽

Excitonic Effects

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Nonlinear Optical Properties of Transition-Metal Dichalcogenide MX2 (M = Mo, W; X = S, Se) Monolayers and Trilayers from First-Principles Calculations

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.5b01866 ◽

2015 ◽

Vol 119 (23) ◽

pp. 13268-13276 ◽

Cited By ~ 53

Author(s):

Chung-Yu Wang ◽

Guang-Yu Guo

Keyword(s):

Optical Properties ◽

Transition Metal ◽

First Principles ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

Transition Metal Dichalcogenide ◽

First Principles Calculations

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Experimental characterization and first principles calculations of linear and nonlinear optical properties of two orthophosphates A3Al2(PO4)3 (A = Rb, K)

Inorganic Chemistry Frontiers ◽

10.1039/c8qi01249k ◽

2019 ◽

Vol 6 (2) ◽

pp. 504-510 ◽

Cited By ~ 11

Author(s):

Ming Wen ◽

Hongping Wu ◽

Shichao Cheng ◽

Jun Sun ◽

Zhihua Yang ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

First Principles Calculation ◽

First Principles Calculations ◽

Experimental Characterization ◽

Linear And Nonlinear

We report the experimental characterization and first principles calculation of linear and nonlinear optical properties of two orthophosphates A3Al2(PO4)3 (A = Rb, K).

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Excitonic Effects on the Linear and Nonlinear Optical Properties of Solid C60 Fullerene, Insights from Many-Body First-Principles Calculations

SSRN Electronic Journal ◽

10.2139/ssrn.3931615 ◽

2021 ◽

Author(s):

Youzhao Lan

Keyword(s):

Optical Properties ◽

First Principles ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

C60 Fullerene ◽

First Principles Calculations ◽

Many Body ◽

Linear And Nonlinear ◽

Excitonic Effects

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Investigations of electronic and nonlinear optical properties of Superalkali adsorbed Biphenylene Based Sheets by first-principles calculations

Optik ◽

10.1016/j.ijleo.2021.166830 ◽

2021 ◽

pp. 166830

Author(s):

Yao-Dong Song ◽

Qian-Ting Wang

Keyword(s):

Optical Properties ◽

First Principles ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

First Principles Calculations

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Study on electronic and optical properties of alkali metal atoms adsorbed GaAs nanowires by first-principles calculations

Solid State Communications ◽

10.1016/j.ssc.2018.05.003 ◽

2018 ◽

Vol 278 ◽

pp. 42-48 ◽

Cited By ~ 3

Author(s):

Yu Diao ◽

Lei Liu ◽

Sihao Xia ◽

Shu Feng ◽

Feifei Lu

Keyword(s):

Optical Properties ◽

Alkali Metal ◽

First Principles ◽

First Principles Calculations ◽

Electronic And Optical Properties ◽

Metal Atoms ◽

Gaas Nanowires

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Second-order nonlinear optical properties of bulk GeC polytypes, g-GeC and corresponding nanotubes: first-principles calculations

Physical Chemistry Chemical Physics ◽

10.1039/c6cp07573h ◽

2017 ◽

Vol 19 (3) ◽

pp. 2235-2244 ◽

Cited By ~ 10

Author(s):

Lei Hu ◽

Dongshan Wei

Keyword(s):

Optical Properties ◽

Density Of States ◽

First Principles ◽

Nonlinear Optical ◽

Second Order ◽

High Density ◽

Nonlinear Optical Properties ◽

First Principles Calculations ◽

Nlo Response

GeC nanotubes possess a strong second-order NLO response. Its origin is the high density of states near the VBM.

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How the alkali metal atoms affect electronic structure and the nonlinear optical properties of C24N24 nanocage

Optik ◽

10.1016/j.ijleo.2017.01.096 ◽

2017 ◽

Vol 135 ◽

pp. 139-152 ◽

Cited By ~ 6

Author(s):

Yao-Dong Song ◽

Liang Wang ◽

Li-Ming Wu

Keyword(s):

Optical Properties ◽

Electronic Structure ◽

Alkali Metal ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

Metal Atoms

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Effect of Alkali Metal Atoms Doping on Structural and Nonlinear Optical Properties of the Gold-Germanium Bimetallic Clusters

Nanomaterials ◽

10.3390/nano7070184 ◽

2017 ◽

Vol 7 (7) ◽

pp. 184 ◽

Cited By ~ 10

Author(s):

Xiaojun Li ◽

Shuna Li ◽

Hongjiang Ren ◽

Juxiang Yang ◽

Yongqiang Tang

Keyword(s):

Optical Properties ◽

Alkali Metal ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

Bimetallic Clusters ◽

Metal Atoms

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