Adsorption mechanism of Ni decorated α-CN monolayer towards CO, NO, and NH₃ gases: Insights from DFT and semi-classical studies DOI

Heli Mistry,

Shardul Vadalkar,

Keyur N. Vyas

et al.

Materials Science in Semiconductor Processing, Journal Year: 2024, Volume and Issue: 186, P. 109106 - 109106

Published: Nov. 14, 2024

Language: Английский

Comparing the optical and thermodynamic properties of 2D YLaX (X= C, N) MXenes to YLaB MBene: Ab-initio study DOI

Maryam Heidary,

Peiman Amiri

Physics Letters A, Journal Year: 2025, Volume and Issue: unknown, P. 130340 - 130340

Published: Feb. 1, 2025

Language: Английский

Citations

0
Theoretical Exploration of a Noble Metal-Decorated Black Arsenic–Phosphorus Monolayer as a Highly Sensitive Gas Sensor for Dissolved Gas Detection in Power Transformers DOI
Tengfei Wang, Mingzhu Liu, Junkai Wang

et al.

Langmuir, Journal Year: 2025, Volume and Issue: unknown

Published: April 2, 2025

The aging or failure of power transformers poses a significant threat to both production and daily life, employing characteristic dissolved gas detection offers an effective early warning system mitigate such risks. In this study, we conducted first-principles simulations investigate the adsorption sensing characteristics two-dimensional intrinsic noble metal-decorated AsP monolayers toward four gases (C2H4, H2, C2H2, CO). Additionally, in-depth analysis electronic structure its impact on performance within systems. study demonstrates that introduction metal improves behaviors, with Ru-decorated monolayer exhibiting particularly superior performances. At different temperatures, H2/Ru-AsP in transformer oil excellent behavior. During initial later stages (from 350 900 K) failure, energy change is approximately -0.8 eV, desorption time less than 0.5 s. Even scenarios involving severe faults result equipment overheating subsequent generation as C2H2 C2H4, sensor consistent response 0.3 This work provides valuable research support for safe operation transformers.

Language: Английский

Citations

0
Unveiling the Computational Insights into Na‐Decorated Hydrogen‐Substituted Graphdiyne for Efficient Tracing and Trapping of Nitrogen and its Oxides DOI

Rohith Ramasamy,

Priya Ranjan Dev, Rajadurai Vijay Solomon

et al.

Materials Today Communications, Journal Year: 2024, Volume and Issue: 39, P. 108734 - 108734

Published: March 28, 2024

Language: Английский

Citations

2
Adsorption mechanism of Ni decorated α-CN monolayer towards CO, NO, and NH₃ gases: Insights from DFT and semi-classical studies DOI

Heli Mistry,

Shardul Vadalkar,

Keyur N. Vyas

et al.

Materials Science in Semiconductor Processing, Journal Year: 2024, Volume and Issue: 186, P. 109106 - 109106

Published: Nov. 14, 2024

Language: Английский

Citations

0