Optical and electronic properties of niobium oxynitrides with various N/O ratios: insights from first-principles calculations

Structural, optical and electronic properties of CuO and Zn doped CuO: DFT based First-principles calculations

Chemical Physics ◽

10.1016/j.chemphys.2019.110536 ◽

2020 ◽

Vol 528 ◽

pp. 110536 ◽

Cited By ~ 6

Author(s):

Meherun Nesa ◽

Md. Abdul Momin ◽

Mehnaz Sharmin ◽

A.H. Bhuiyan

Keyword(s):

Electronic Properties ◽

First Principles ◽

Optical and electronic properties of poly(para-phenylene) by first principles calculations and experimental results

10.1109/stsm.1994.836122 ◽

1994 ◽

Author(s):

C. Ambrosch-Draxl ◽

R. Abt ◽

J.A. Majewski ◽

P. Vogl ◽

K.D. Aichholzer ◽

...

Keyword(s):

Electronic Properties ◽

First Principles ◽

Experimental Results ◽

Optical and electronic properties of crystalline poly(para-phenylene) by first-principles calculations and experimental results

Synthetic Metals ◽

10.1016/0379-6779(94)02509-w ◽

1995 ◽

Vol 69 (1-3) ◽

pp. 411-414 ◽

Cited By ~ 12

Author(s):

C. Ambrosch-Draxl ◽

J.A. Majewski ◽

P. Vogl ◽

G. Leising ◽

R. Abt ◽

...

Keyword(s):

Electronic Properties ◽

First Principles ◽

Experimental Results ◽

First-principles calculations of optical and electronic properties of pure and Sm3+-doped TiO2

Physica B Condensed Matter ◽

10.1016/j.physb.2010.03.006 ◽

2010 ◽

Vol 405 (10) ◽

pp. 2450-2456 ◽

Cited By ~ 26

Author(s):

M.G. Brik ◽

I. Sildos ◽

V. Kiisk

Keyword(s):

Electronic Properties ◽

First Principles ◽

Doped Tio2 ◽

Stability, and optical and electronic properties of ultrathin h-BNC

Physical Chemistry Chemical Physics ◽

10.1039/c6cp08730b ◽

2017 ◽

Vol 19 (7) ◽

pp. 5629-5636 ◽

Cited By ~ 10

Author(s):

Andressa C. Bevilacqua ◽

Mateus Henrique Köhler ◽

Sérgio Azevedo ◽

Rogério J. Baierle

Keyword(s):

Solar Energy ◽

Electronic Properties ◽

First Principles ◽

Promising Material ◽

First principles calculations have shown ultrathin h-BNC to be a promising material for catalysis using solar energy.

Optical and electronic properties of TiO2/GOQDs composites: A combined experimental and first-principles calculations study

Computational Materials Science ◽

10.1016/j.commatsci.2021.110503 ◽

2021 ◽

Vol 195 ◽

pp. 110503

Author(s):

V.R. Jauja-Ccana ◽

Allison V. Córdova Huamán ◽

Gustavo T. Feliciano ◽

Adolfo La Rosa-Toro Gómez

Keyword(s):

Electronic Properties ◽

First Principles ◽

The mechanical and electronic properties of o-Fe2C, h-Fe3C, t-Fe5C2, m-Fe5C2 and h-Fe7C3 compounds: First-principles calculations

Physica B Condensed Matter ◽

10.1016/j.physb.2021.412825 ◽

2021 ◽

Vol 606 ◽

pp. 412825

Author(s):

Wei-Hong Liu ◽

Wei Zeng ◽

Fu-Sheng Liu ◽

Bin Tang ◽

Qi-Jun Liu ◽

...

Keyword(s):

Electronic Properties ◽

First Principles ◽

First Principles Calculations

Identification of the structural, electronic properties, and ionic diffusion kinetics of Na3Cr2(PO4)3 by first-principles calculations

Electrochimica Acta ◽

10.1016/j.electacta.2021.138157 ◽

2021 ◽

Vol 379 ◽

pp. 138157

Author(s):

Muhammad Mamoor ◽

Ruqian Lian ◽

Dashuai Wang ◽

Yaying Dou ◽

Yizhan Wang ◽

...

Keyword(s):

Electronic Properties ◽

First Principles ◽

Ionic Diffusion ◽

Diffusion Kinetics ◽

Kinetics Of

Optical and electronic properties of SiTex (x = 1, 2) from first-principles

Journal of Applied Physics ◽

10.1063/5.0054391 ◽

2021 ◽

Vol 129 (22) ◽

pp. 224305

Author(s):

Romakanta Bhattarai ◽

Xiao Shen

Keyword(s):

Electronic Properties ◽

First Principles ◽

Electronic properties of group-IV monochalcogenide nanoribbons: Studied from first-principles calculations

Physics Letters A ◽

10.1016/j.physleta.2017.09.048 ◽

2017 ◽

Vol 381 (44) ◽

pp. 3747-3753 ◽

Cited By ~ 4

Author(s):

Rui Li ◽

Hong Cao ◽

Jinming Dong

Keyword(s):

Electronic Properties ◽

First Principles ◽

Group Iv ◽

First Principles Calculations