Adsorption and Detection of SF6 Decomposed Toxic Gases (H2S, SO2, SOF2, SO2F2) on Transition Metal (Fe, Ru, Os) Modified WTe2 Monolayer: A DFT …
W Zhou, Z Li, L Li, W Zeng, Q Zhou - Journal of Environmental Chemical …, 2025 - Elsevier
Based on the first-principles simulation of density functional theory, this paper analyzed the
adsorption effect of transition metal atoms (Fe, Ru, Os) doped modified WTe 2 system on SF …
adsorption effect of transition metal atoms (Fe, Ru, Os) doped modified WTe 2 system on SF …
DFT study of Pd-doped ZrCl 2: a promising solution for dissolved gas molecule analysis in transformer oil
The application of 2D materials for detecting dissolved gas molecules is essential for
identifying faults in oil-immersed transformers. This study investigates the adsorption …
identifying faults in oil-immersed transformers. This study investigates the adsorption …
Investigating transition metal (Fe, Co, Ni)-doped biphenylene network as a sensor for SF6 decomposition molecules detection at the atomic scale
JY Yuan, ZG Shao - Physica E: Low-dimensional Systems and …, 2025 - Elsevier
For the detection of SF 6 decomposition products, the development of high performance
sensor materials is extremely critical. Biphenylene network (BPN), an emerging 2D carbon …
sensor materials is extremely critical. Biphenylene network (BPN), an emerging 2D carbon …
YBiX3 (X= Se, Te) Monolayer as a Promising Photocatalysts: A DFT Study
In this work, a novel monolayer YBiX 3 (X= Se, Te) has been introduced. Using first-
principles calculations, a comprehensive study of structural and optoelectronic properties …
principles calculations, a comprehensive study of structural and optoelectronic properties …
Detection of Sf₆ Decomposition Products Using Ni-Inse Monolayer: From Adsorption Behavior to Gas Sensing Applications
X Zhang, X Lin, PB Pan, CF Sun, YG Yao - Available at SSRN 4990340 - papers.ssrn.com
This study utilizes first-principles calculations to examine the behavior of nickel (Ni)
substitution in the indium selenide (InSe) monolayer and to analyze the adsorption …
substitution in the indium selenide (InSe) monolayer and to analyze the adsorption …