Tuning electronic and optical properties of MoS2monolayer via molecular charge transfer

2014 ◽  
Vol 2 (40) ◽  
pp. 16892-16897 ◽  
Author(s):  
Yu Jing ◽  
Xin Tan ◽  
Zhen Zhou ◽  
Panwen Shen
Keyword(s):  
Optical Properties ◽  
Charge Transfer ◽  
Electronic And Optical Properties ◽  
Molecular Charge

Intramolecular charge-transfer emission from conjugated polymer nanoparticles: the terminal group effect on electronic and optical properties

2015 ◽  
Vol 6 (12) ◽  
pp. 2305-2311 ◽  
Author(s):  
Xiaofu Wu ◽  
Haibo Li ◽  
Yuxiang Xu ◽  
Hui Tong ◽  
Lixiang Wang
Keyword(s):  
Optical Properties ◽  
Charge Transfer ◽  
Conjugated Polymer ◽  
Intramolecular Charge Transfer ◽  
Terminal Group ◽  
Polymer Nanoparticles ◽  
Electronic And Optical Properties ◽  
The Core ◽  
Conjugated Polymer Nanoparticles ◽  
First Time

Efficient tuning of electronic and optical properties of conjugated polymer nanoparticles by intramolecular charge transfer between the core and the terminal groups is demonstrated for the first time.

ELECTRONIC AND OPTICAL PROPERTIES OF MgV0.125Al1.875O4 BY FIRST PRINCIPLES

2009 ◽  
Vol 23 (06n07) ◽  
pp. 1701-1706
Author(s):  
MEILING LI ◽  
FENGJIU SUN
Keyword(s):  
Optical Properties ◽  
Charge Transfer ◽  
Conduction Band ◽  
Influencing Factor ◽  
Optical Excitation ◽  
Electronic And Optical Properties ◽  
Optical Process ◽  
Charge Transfer Transitions ◽  
Specific Rule ◽  
D Orbitals

The electronic and optical properties of MgV 0.125 Al 1.875 O 4 are investigated by use of the first principle. The calculated results indicate that the V -doped compound is semiconductor with a small gap 0.2102eV. It is concluded that the doping element V has specific rule in the MgAl 2 O 4 spinel, which leads it showing finite value DOS at the Fermi level and makes the total DOS gaps smaller than that of MgAl 2 O 4. In MgV 0.125 Al 1.875 O 4, the influencing factor on the optical process is that the 3d orbitals of V ion are highly localized and the part of 3d bands well incorporate into the conduction band, which very benefit to charge transfer transitions between O 2 p orbitals to the hybridized V 3 d orbitals near the conduction band. The absorption intensifies in the visible zone due to the V doping. The charge-transfer transitions around 282nm and 433nm between V and O are attributed to the optical excitation and deexcitation process, respectively, in agreement with experimental observations.

scholarly journals Fully Atomistic Understanding of the Electronic and Optical Properties of a Prototypical Doped Charge-Transfer Interface

ACS Nano ◽  
2017 ◽  
Vol 11 (10) ◽  
pp. 10495-10508 ◽  
Author(s):  
Anu Baby ◽  
Marco Gruenewald ◽  
Christian Zwick ◽  
Felix Otto ◽  
Roman Forker ◽  
...  
Keyword(s):  
Optical Properties ◽  
Charge Transfer ◽  
Electronic And Optical Properties

DFT and TD-DFT studies on the electronic and optical properties of explosive molecules adsorbed on boron nitride and graphene nano flakes

RSC Advances ◽  
2015 ◽  
Vol 5 (6) ◽  
pp. 4599-4608 ◽  
Author(s):  
Hakkim Vovusha ◽  
Biplab Sanyal
Keyword(s):  
Optical Properties ◽  
Charge Transfer ◽  
Boron Nitride ◽  
Binding Affinity ◽  
Dft Studies ◽  
Electronic And Optical Properties ◽  
Td Dft

The binding affinity of explosive molecules with 2D BN flakes is higher than G flakes due to more charge transfer in the BN-explosive complexes.

Tuning the Electronic and Optical Properties of Monolayers As, Sb, and Bi via Surface Charge Transfer Doping

2017 ◽  
Vol 121 (35) ◽  
pp. 19530-19537 ◽  
Author(s):  
Feifei Xia ◽  
Shiyun Xiong ◽  
Yuanyuan He ◽  
Zhibin Shao ◽  
Xiujuan Zhang ◽  
...  
Keyword(s):  
Optical Properties ◽  
Charge Transfer ◽  
Surface Charge ◽  
Electronic And Optical Properties

ELECTRONIC AND OPTICAL PROPERTIES OF QUASIPERIODIC FIBONACCI SUPERLATTICES

1987 ◽  
Vol 48 (C5) ◽  
pp. C5-529-C5-532 ◽  
Author(s):  
F. LARUELLE ◽  
V. THIERRY-MIEG ◽  
M. C. JONCOUR ◽  
B. ETIENNE
Keyword(s):  
Optical Properties ◽  
Electronic And Optical Properties
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