Tuning NO2 selectivity in MoSe2 sensors via metal modification: Fermi-level electronic state control DOI
Chun Song, Lin Tao, Jie Dang

et al.

Computational and Theoretical Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 115296 - 115296

Published: May 1, 2025

Language: Английский

The potential application of zinc oxide nanotubes as sensors for NH3 detection: A DFT study DOI
Mohamed J. Saadh,

Abdulrahman Qais Khaleel,

Anjan Kumar

et al.

Chemical Physics, Journal Year: 2025, Volume and Issue: unknown, P. 112614 - 112614

Published: Jan. 1, 2025

Language: Английский

Citations

1
Modelling gas adsorption onto Al12(Zn)N12 surfaces: A theoretical study of CH4, CO, CO2, H2O, N2, NH3, NO, NO2, O2, and SO2 interactions DOI
Karwan Wasman Qadir, Mohsen Doust Mohammadi, Hewa Y. Abdullah

et al.

Computational and Theoretical Chemistry, Journal Year: 2024, Volume and Issue: unknown, P. 115063 - 115063

Published: Dec. 1, 2024

Language: Английский

Citations

7
Folic acid adsorption on pristine and oxygen-terminated boron nitride and silicon carbide nanoparticles: A DFT and MD simulation study DOI
Wael A. Mahdi, Adel Alhowyan, Ahmad J. Obaidullah

et al.

Diamond and Related Materials, Journal Year: 2025, Volume and Issue: unknown, P. 112171 - 112171

Published: March 1, 2025

Language: Английский

Citations

0
Adsorption of organic pollutants on B12N12 and Al12N12 nanocages DOI
Remya Geetha Sadasivan Nair, Arun Kumar Narayanan Nair, Shuyu Sun

et al.

Computational and Theoretical Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 115187 - 115187

Published: March 1, 2025

Language: Английский

Citations

0
Analysis of the nature of the hydrogen bonding and cooperative effect in acid-water clusters from a theoretical perspective DOI
Arnab Patla,

Deepa Kumari,

Ankit Kumar

et al.

Molecular Physics, Journal Year: 2025, Volume and Issue: unknown

Published: March 13, 2025

Language: Английский

Citations

0
DFT and Experimental Investigation of the Optoelectronic Properties of TFB Polymer for Lasing Application DOI
Mamduh J. Aljaafreh, Boutheina Ben Abdelaziz, Nazir Mustapha

et al.

Journal of Fluorescence, Journal Year: 2025, Volume and Issue: unknown

Published: March 25, 2025

Language: Английский

Citations

0
Enhanced CO2 reduction on transition metal-doped AlN and GaN quantum dots: A DFT study DOI
Zhilong Wang, Nahed H. Teleb, Mahmoud A.S. Sakr

et al.

Chemical Physics, Journal Year: 2025, Volume and Issue: unknown, P. 112723 - 112723

Published: March 1, 2025

Language: Английский

Citations

0
Design of Highly Fluorescent Imidazole-Based Metal-Free D–Π–A Dye for DSSC Application DOI

C. N. Ravi,

Amnah Mohammed Alsuhaibani, Moamen S. Refat

et al.

Journal of Fluorescence, Journal Year: 2025, Volume and Issue: unknown

Published: March 29, 2025

Language: Английский

Citations

0
Tuning NO2 selectivity in MoSe2 sensors via metal modification: Fermi-level electronic state control DOI
Chun Song, Lin Tao, Jie Dang

et al.

Computational and Theoretical Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 115296 - 115296

Published: May 1, 2025

Language: Английский

Citations

0