Theoretical study on structural properties and mechanism of nitrogen reduction of monatomic Sc and Mo doped Li defect LiH

Yang, Zufan; Huang, Zhiling; Zhao, Shaofen; Meng, Yue; Xie, Bo; Zhang, Ni; Xia, Shengjie

doi:10.1016/j.cplett.2022.139855

Cited by 3 publications

(1 citation statement)

References 47 publications

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“…The shorter bond length of Cu-Se leads to a stronger interaction between atomic orbitals and more stable structure. [28] Completed bonds result in decreasing the trap density due to the reduced dangling bonds at the interface between two stacked materials. [29] Add to these strong interactions there is an additional role coming from the electronic configuration of Cr and Cu atoms.…”

Section: Resultsmentioning

confidence: 99%

Synthesis of Copper Nanosheets Coatings onto Glass and Glass/CrSe₂ Substrates Using Ion Coating Technique for Terahertz Technology

Alfhaid,

Qasrawi

2023

Cryst. Res. Technol.

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In this study, copper (Cu) nanosheets are utilized as semitransparent conducting optical windows for the fabrication of terahertz band filters based on chromium selenide (CrSe2). The deposition of CrSe2 thin films onto glass substrates is performed via the thermal evaporation technique followed by the application of Cu nanosheets using the ion coating technique. The interaction between Cu windows and CrSe2 films resulted in a slight widening of the energy bandgap and a remarkable reduction in the Urbach tail states from 2.24 to 1.23 eV. Furthermore, the coating of CrSe2 with Cu optical windows led to a decrease in the dielectric constant values of more than 35% and an increase in the terahertz cutoff frequency by more than 70%. The application of Cu windows increased the cutoff frequency to 23 THz. The correlation between electrical and optical conduction in the terahertz band filters is investigated through the utilization of Drude–Lorentz models, revealing that although Cu windows reduced the free carrier density and conductivity, they enhanced drift mobility, resulting in more efficient terahertz filter properties. The calculated optical constants and optical conductivity parameters provided evidence of the suitability of Cu‐coated CrSe2 films for applications in terahertz technology.

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Section: Resultsmentioning

confidence: 99%

Synthesis of Copper Nanosheets Coatings onto Glass and Glass/CrSe₂ Substrates Using Ion Coating Technique for Terahertz Technology

Alfhaid,

Qasrawi

2023

Cryst. Res. Technol.

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Fluorine, nitrogen doping, and triaxial strain effects on the structural stability and hydrogen storage properties of lithium hydride LiH: DFT investigation

Arharbi,

Ez-Zahraouy

2024

International Journal of Hydrogen Energy

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Theoretical study on the synthesis of urea by series electrocatalysis of lithium main group embedded in COF structure

Hou,

Guo

2024

Journal of Solid State Chemistry

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Theoretical study on structural properties and mechanism of nitrogen reduction of monatomic Sc and Mo doped Li defect LiH

Cited by 3 publications

References 47 publications

Synthesis of Copper Nanosheets Coatings onto Glass and Glass/CrSe₂ Substrates Using Ion Coating Technique for Terahertz Technology

Synthesis of Copper Nanosheets Coatings onto Glass and Glass/CrSe₂ Substrates Using Ion Coating Technique for Terahertz Technology

Fluorine, nitrogen doping, and triaxial strain effects on the structural stability and hydrogen storage properties of lithium hydride LiH: DFT investigation

Theoretical study on the synthesis of urea by series electrocatalysis of lithium main group embedded in COF structure

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Theoretical study on structural properties and mechanism of nitrogen reduction of monatomic Sc and Mo doped Li defect LiH

Cited by 3 publications

References 47 publications

Synthesis of Copper Nanosheets Coatings onto Glass and Glass/CrSe2 Substrates Using Ion Coating Technique for Terahertz Technology

Synthesis of Copper Nanosheets Coatings onto Glass and Glass/CrSe2 Substrates Using Ion Coating Technique for Terahertz Technology

Fluorine, nitrogen doping, and triaxial strain effects on the structural stability and hydrogen storage properties of lithium hydride LiH: DFT investigation

Theoretical study on the synthesis of urea by series electrocatalysis of lithium main group embedded in COF structure

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Product

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Synthesis of Copper Nanosheets Coatings onto Glass and Glass/CrSe₂ Substrates Using Ion Coating Technique for Terahertz Technology

Synthesis of Copper Nanosheets Coatings onto Glass and Glass/CrSe₂ Substrates Using Ion Coating Technique for Terahertz Technology