High Pressure Studies on the Optical and Electronic Properties of Para -Terphenyl

2002 ◽  
Vol 22 (1) ◽  
pp. 105-109 ◽  
Author(s):  
P. Puschnig ◽  
G. Heimel ◽  
K. Weinmeier ◽  
R. Resel ◽  
C. Ambrosch-Draxl
Keyword(s):  
High Pressure ◽  
Electronic Properties ◽  
High Pressure Studies ◽  
Optical And Electronic Properties

scholarly journals First-Principles Study on Optic-Electronic Properties of Charge-Ordered Indium Halide Perovskite Cs2In(I)In(III)Cl6 at High Pressure

2021 ◽  
Vol 3 ◽  
Author(s):  
Yajing Wang ◽  
Shunwei Yao ◽  
Xiaolin Liu ◽  
Guohong Chen ◽  
Lin Peng
Keyword(s):  
High Pressure ◽  
Electronic Properties ◽  
Electron Excitation ◽  
Optical Absorption Coefficient ◽  
Pentagonal Bipyramid ◽  
Optical And Electronic Properties ◽  
Halide Perovskites ◽  
Halide Perovskite ◽  
A Charge ◽  
Peak Value

Using the first principle method we studied, theoretically and in detail, the structural, optical, and electronic properties of a charge-ordered indium halide perovskite Cs2In(I)In(III)Cl6 at high pressure. In this structure, In1, In2, and In3 are octahedrally coordinated, whereas In4 is at the center of a pentagonal bipyramid. The charge of In on In1 and In2 sites can be assigned to 3+, while In+ occupies In3 and In4 sites. The results indicated that the band gap decreases, and the electron excitation produces the red-shift of peak value of optical absorption coefficient in visible and infrared regions with increasing pressure, and the reflectivity decreases in visible and infrared regions with increasing pressure. These theoretical results provide a basis for designing related inorganic halide perovskites.

scholarly journals High-pressure characterization of the optical and electronic properties of InVO4, InNbO4, and InTaO4

2019 ◽  
Vol 1 (5) ◽  
Author(s):  
P. Botella ◽  
D. Errandonea ◽  
A. B. Garg ◽  
P. Rodriguez-Hernandez ◽  
A. Muñoz ◽  
...  
Keyword(s):  
High Pressure ◽  
Electronic Properties ◽  
Optical And Electronic Properties

1,1’-Biaceanthrylene and 2,2'-Biaceanthrylene: Models for Linking Larger Polycyclic Aromatic Hydrocarbons via Five-Membered Rings

2019 ◽  
Author(s):  
Yachu Du ◽  
Kyle Plunkett
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Polycyclic Aromatic Hydrocarbon ◽  
Aromatic Hydrocarbon ◽  
Electronic Properties ◽  
Aromatic Hydrocarbons ◽  
Model Systems ◽  
Redox Potentials ◽  
Dimer Model ◽  
Optical And Electronic Properties ◽  
Polycyclic Aromatic

We show that polycyclic aromatic hydrocarbon (PAH) chromophores that are linked between two five-membered rings can access planarized structures with reduced optical gaps and redox potentials. Two aceanthrylene chromophores were connected into dimer model systems with the chromophores either projected outward (2,2’-biaceanthrylene) or inward (1,1’-biaceanthrylene) and the optical and electronic properties were compared. Only the planar 2,2’-biaceanthrylene system showed significant reductions of the optical gaps (1 eV) and redox potentials in relation to the aceanthrylene monomer.<br>

1,1’-Biaceanthrylene and 2,2'-Biaceanthrylene: Models for Linking Larger Polycyclic Aromatic Hydrocarbons via Five-Membered Rings

2019 ◽  
Author(s):  
Yachu Du ◽  
Kyle Plunkett
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Polycyclic Aromatic Hydrocarbon ◽  
Aromatic Hydrocarbon ◽  
Electronic Properties ◽  
Aromatic Hydrocarbons ◽  
Model Systems ◽  
Redox Potentials ◽  
Dimer Model ◽  
Optical And Electronic Properties ◽  
Polycyclic Aromatic

We show that polycyclic aromatic hydrocarbon (PAH) chromophores that are linked between two five-membered rings can access planarized structures with reduced optical gaps and redox potentials. Two aceanthrylene chromophores were connected into dimer model systems with the chromophores either projected outward (2,2’-biaceanthrylene) or inward (1,1’-biaceanthrylene) and the optical and electronic properties were compared. Only the planar 2,2’-biaceanthrylene system showed significant reductions of the optical gaps (1 eV) and redox potentials in relation to the aceanthrylene monomer.<br>

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