Electronic and optical properties of CeO2 from first principles calculations

Analytical Methods ◽

10.1039/c6ay00374e ◽

2016 ◽

Vol 8 (25) ◽

pp. 5045-5052 ◽

Author(s):

Mohammed El Khalifi ◽

Fabien Picaud ◽

Mohamed Bizi

Keyword(s):

Experimental Data ◽

Optical Properties ◽

Electronic Structure ◽

First Principles ◽

First Principles Calculations ◽

Electronic And Optical Properties

First principles calculations of the electronic structure of CeO2 nanoparticles (NPs) were performed to investigate published experimental data obtained by different spectroscopies.

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The electronic and optical properties of Au decorated(1 01¯4) dolomite surface: A first principles calculations

Results in Physics ◽

10.1016/j.rinp.2021.103827 ◽

2021 ◽

Vol 21 ◽

pp. 103827

Author(s):

Jianrong Wang ◽

Weibin Zhang ◽

Qingfeng Wu ◽

Shufang Gao ◽

Yuanyuan Jin ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

First Principles Calculations ◽

Electronic And Optical Properties

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First-principles study on structural, electronic and optical properties of perovskite solid solutions KB1−xMgxI3 (B = Ge, Sn) toward water splitting photocatalysis

RSC Advances ◽

10.1039/d1ra04534b ◽

2021 ◽

Vol 11 (42) ◽

pp. 26432-26443

Author(s):

Chol-Hyok Ri ◽

Yun-Sim Kim ◽

Un-Gi Jong ◽

Yun-Hyok Kye ◽

Se-Hun Ryang ◽

...

Keyword(s):

Optical Properties ◽

Water Splitting ◽

Potassium Iodide ◽

Solid Solutions ◽

First Principles ◽

Lead Free ◽

First Principles Calculations ◽

Electronic And Optical Properties ◽

First Principles Study

We propose lead-free potassium iodide perovskite solid solutions KBI3 with B-site mixing between Ge/Sn and Mg as potential candidates for photocatalysts based on systematic first-principles calculations.

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First-principles calculations to investigate the electronic and optical properties of (MoS2)4-n/(MoSSe)n lateral heterostructure

Journal of Physics and Chemistry of Solids ◽

10.1016/j.jpcs.2021.110049 ◽

2021 ◽

Vol 154 ◽

pp. 110049

Author(s):

Nsajigwa Mwankemwa ◽

Shanjun Chen ◽

Shufang Gao ◽

Yi Xiao ◽

Weibin Zhang ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

First Principles Calculations ◽

Electronic And Optical Properties ◽

Lateral Heterostructure

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First-principles calculations of the electronic and optical properties of $$\text {WSe}_2/\text {Cd}_{0.9}\text {Zn}_{0.1}\text {Te}$$ van der Waals heterostructure

Journal of Computational Electronics ◽

10.1007/s10825-021-01659-x ◽

2021 ◽

Author(s):

Anurag Chauhan ◽

Ankit Maahich ◽

Jatin Pal

Keyword(s):

Optical Properties ◽

First Principles ◽

Van Der Waals ◽

First Principles Calculations ◽

Electronic And Optical Properties ◽

Van Der Waals Heterostructure

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Electronic structure and optical properties of plutonium dioxide from first-principles calculations

Rare Metals ◽

10.1007/s12598-014-0280-9 ◽

2014 ◽

Vol 35 (8) ◽

pp. 643-648 ◽

Author(s):

Jun Chen ◽

Da-qiao Meng ◽

Qiu-Yun Chen ◽

Wen-Hua Luo

Keyword(s):

Optical Properties ◽

Electronic Structure ◽

First Principles ◽

First Principles Calculations ◽

Plutonium Dioxide

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Electronic Structure and Optical Properties of a Mn-Doped InSe/WSe2 van der Walls Heterostructure: First Principles Calculations

Journal of the Korean Physical Society ◽

10.3938/jkps.77.587 ◽

2020 ◽

Vol 77 (7) ◽

pp. 587-591

Author(s):

Rundong Liang ◽

Xiuwen Zhao ◽

Guichao Hu ◽

Weiwei Yue ◽

Xiaobo Yuan ◽

...

Keyword(s):

Optical Properties ◽

Electronic Structure ◽

First Principles ◽

First Principles Calculations ◽

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First-principles calculations to investigate structural, elastic, electronic and optical properties of lead-free perovskite derivatives Cs2SeX6 (X=Cl, Br, I)

Optical Materials ◽

10.1016/j.optmat.2021.111316 ◽

2021 ◽

Vol 119 ◽

pp. 111316

Author(s):

De-Yuan Hu ◽

Xian-Hao Zhao ◽

Tian-Yu Tang ◽

Li Li ◽

Li-Ke Gao ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

Lead Free ◽

First Principles Calculations ◽

Electronic And Optical Properties

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First-principles calculations of structural, electronic and optical properties of CdxZn1−xS alloys

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2010.07.197 ◽

2010 ◽

Vol 507 (2) ◽

pp. 356-363 ◽

Author(s):

N.A. Noor ◽

N. Ikram ◽

S. Ali ◽

S. Nazir ◽

S.M. Alay-e-Abbas ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

First Principles Calculations ◽

Electronic And Optical Properties

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First-principles calculations of structural, electronic and optical properties of ZnGa2O4: Cr3+ system

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2021.161862 ◽

2021 ◽

pp. 161862

Author(s):

YAN Yu-xing ◽

ZHENG Shuai ◽

XIONG Lin-qiang ◽

WANG Fan ◽

CHENG Jun ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

First Principles Calculations ◽

Electronic And Optical Properties

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First‐Principles Calculations of Electronic Structure and Optical Properties of Si‐Doped and Vacancy β‐Ga 2 O 3

Crystal Research and Technology ◽

10.1002/crat.202100126 ◽

2021 ◽

pp. 2100126

Author(s):

Jifei Liu ◽

Shanshan Gao ◽

Weixue Li ◽

Jianfeng Dai ◽

Zhongqiang Suo ◽

...

Keyword(s):

Optical Properties ◽

Electronic Structure ◽

First Principles ◽

First Principles Calculations ◽

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