Time dependent DFT study of structural and optical properties of bulk CuCl

2015 ◽  
Author(s):  
Dilna Azhikodan ◽  
Sangeeta Sharma ◽  
Tashi Nautiyal
Keyword(s):  
Optical Properties ◽  
Time Dependent ◽  
Dft Study ◽  
Structural And Optical Properties

Structural and Optical Properties of Subporphyrinoids: A TD-DFT Study

2017 ◽  
Vol 121 (22) ◽  
pp. 4306-4317 ◽  
Author(s):  
Cloé Azarias ◽  
Mylène Pawelek ◽  
Denis Jacquemin
Keyword(s):  
Optical Properties ◽  
Dft Study ◽  
Structural And Optical Properties ◽  
Td Dft

Structural- and optical-properties analysis of single crystalline hematite (α-Fe2O3) nanocubes prepared by one-pot hydrothermal approach

CrystEngComm ◽  
2016 ◽  
Vol 18 (25) ◽  
pp. 4720-4732 ◽  
Author(s):  
Nur Maisarah Abdul Rashid ◽  
Choonyian Haw ◽  
Weesiong Chiu ◽  
Noor Hamizah Khanis ◽  
Aliff Rohaizad ◽  
...  
Keyword(s):  
Optical Properties ◽  
Hydrothermal Method ◽  
Morphological Evolution ◽  
Time Dependent ◽  
Structural And Optical Properties ◽  
High Quality ◽  
One Pot ◽  
Single Crystalline ◽  
Evolution Analysis ◽  
Hydrothermal Approach

Time-dependent morphological evolution analysis shows high quality crystalline α-Fe2O3 nanocubes can be precisely tuned and synthesized by a facile, green, yet straightforward strategy via a hydrothermal method.

Experimental and DFT Study of Structural and Optical Properties of Kesterite-Type Cu2ZnSnS4 Compound for Solar Cell Applications

JOM ◽  
2017 ◽  
Vol 69 (12) ◽  
pp. 2492-2496 ◽  
Author(s):  
M. Chaouche ◽  
N. Benslim ◽  
K. Hamdani ◽  
M. Benabdeslem ◽  
L. Bechiri ◽  
...  
Keyword(s):  
Optical Properties ◽  
Solar Cell ◽  
Dft Study ◽  
Structural And Optical Properties

Time-dependent transformation routes of perovskites CsPbBr3 and CsPbCl3 under high pressure

2021 ◽  
Author(s):  
Marek Szafrański ◽  
Andrzej Katrusiak ◽  
Kenny Ståhl
Keyword(s):  
High Pressure ◽  
Optical Properties ◽  
Time Dependent ◽  
Structural And Optical Properties ◽  
Pressure Application

All-inorganic perovskites CsPbBr3 and CsPbCl3 undergo various types of transitions depending on the mode of pressure application. The importance of truly hydrostatic conditions for interpretation of structural and optical properties is discussed.

Structural and optical properties of LaFe1-xVxO3 as predicted by a DFT study

2020 ◽  
pp. 101876
Author(s):  
W. Azouzi ◽  
I. Benabdallah ◽  
A. Sibari ◽  
H. Labrim ◽  
M. Benaissa
Keyword(s):  
Optical Properties ◽  
Dft Study ◽  
Structural And Optical Properties

Effect of magnesium on structural and optical properties of CaTiO3: A DFT study

2019 ◽  
Vol 568 ◽  
pp. 88-91 ◽  
Author(s):  
Muhammad Rizwan ◽  
Azeem Shahid ◽  
Tariq Mahmood ◽  
Abrar Ahmad Zafar ◽  
Imran Aslam ◽  
...  
Keyword(s):  
Optical Properties ◽  
Dft Study ◽  
Structural And Optical Properties

Implementation of magnesium doping in SrTiO3 for correlating electronic, structural and optical properties: A DFT study

2019 ◽  
Vol 62 ◽  
pp. 388-394
Author(s):  
Muhammad Rizwan ◽  
Maida Anwar ◽  
Zahid Usman ◽  
Muhammad Shakil ◽  
S.S.A. Gillani ◽  
...  
Keyword(s):  
Optical Properties ◽  
Dft Study ◽  
Structural And Optical Properties ◽  
Magnesium Doping
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