Van der Waals epitaxial growth of two-dimensional non-layered CdS1-xSex for high-sensitivity NH DOI
Xiao‐Feng Xia, Wenting Zhang, Hongyan Wang

и другие.

Applied Surface Science, Год журнала: 2024, Номер unknown, С. 161830 - 161830

Опубликована: Ноя. 1, 2024

A first-principles investigation of BF3 and ClF3 gas sensing on N-defected AlN nanosheets DOI Creative Commons

Ishrat Jahan Tonny,

Mim Khatun, Debashis Roy

и другие.

AIP Advances, Год журнала: 2024, Номер 14(4)

Опубликована: Апрель 1, 2024

We conducted theoretical calculations to examine the energetic stability of pristine aluminum nitride (AlN) and N-defected AlN nanosheets, along with their structural, electronic, optical properties, utilizing density functional theory. Furthermore, we explored adsorption properties BF3 ClF3 toxic gases on both nanosheets. Our findings reveal that N-defect nanosheet enhances gas energies (−1.354 −13.263 eV) compared nanosheet. Additionally, absolute value bandgap for increases 3.032 eV, exceeding 2.997 eV The molecules suffer significant deformation due interaction adsorbents. Upon adsorption, diminishes zero. Moreover, recovery time after surpasses Both adsorbents showed a high absorption coefficient over 104 cm−1 in UV region. Significant peak shifting spectra was observed adsorption. pronounced changes following suggest nanosheets are suitable (dissociation) (ClF3) gases.

Язык: Английский

Процитировано

6
Exploring RbSnCl3 and RbPbCl3 perovskites for solar cell applications using a first-principles approach: Multiobjective optimization beyond conventional methods DOI

Ibtihal M. Alsalamah,

Faizani Mohd-Noor,

A. Shaari

и другие.

Computational Condensed Matter, Год журнала: 2025, Номер unknown, С. e01002 - e01002

Опубликована: Янв. 1, 2025

Язык: Английский

Процитировано

0
The properties of fluorine-doped graphene-based intermediate band solar cell materials DOI Creative Commons
Lingyun Sun

Results in Physics, Год журнала: 2025, Номер unknown, С. 108133 - 108133

Опубликована: Янв. 1, 2025

Язык: Английский

Процитировано

0
Ab-Initio Study of Run and Rhn (n = 1–3) Nanoclusters on Monolayer MoSSe for Sensing Industrial Toxic Gases DOI
Yang He, Haonan Xie,

Guozhi Lin

и другие.

ACS Applied Nano Materials, Год журнала: 2025, Номер unknown

Опубликована: Март 21, 2025

Язык: Английский

Процитировано

0
A first principle investigation of the CO gas adsorption property of pristine, cobalt (Co), and phosphorus (P) doped BN nanosheets DOI

Milon,

Debashis Roy, Farid Ahmed

и другие.

Physica B Condensed Matter, Год журнала: 2024, Номер 680, С. 415839 - 415839

Опубликована: Март 6, 2024

Язык: Английский

Процитировано

3
Enhancing biphenylene sensitivity for BF3 detection via nitrogen Doping: A DFT study DOI
Mohamed J. Saadh,

Pawan Sharma,

Abhishek Kumar

и другие.

Computational and Theoretical Chemistry, Год журнала: 2024, Номер unknown, С. 114865 - 114865

Опубликована: Сен. 1, 2024

Язык: Английский

Процитировано

2
The influence of carbon content to the band gap of ABC stacked trilayer hybridized graphene and hexagonal boron nitride DOI Creative Commons
Lingyun Sun

Carbon Trends, Год журнала: 2024, Номер 17, С. 100413 - 100413

Опубликована: Окт. 10, 2024

Язык: Английский

Процитировано

1
Van der Waals epitaxial growth of two-dimensional non-layered CdS1-xSex for high-sensitivity NH DOI
Xiao‐Feng Xia, Wenting Zhang, Hongyan Wang

и другие.

Applied Surface Science, Год журнала: 2024, Номер unknown, С. 161830 - 161830

Опубликована: Ноя. 1, 2024

Процитировано

0