Theoretical Investigation of Rhodium-Decorated Gallium Nitride Nanotubes for Sulfur Hexafluoride Decomposition Products Sensing and Scavenging Applications DOI
Qingfang Zhang, Shixian Fan, Jitao Zhang

et al.

Langmuir, Journal Year: 2024, Volume and Issue: 40(45), P. 24086 - 24094

Published: Nov. 1, 2024

Gas-insulated switchgear (GIS) plays an important role as a modern power distribution device in plants and stations, which is commonly filled with SF6 insulating gas. During the equipment operation, inevitable partial discharge causes to be broken down into gas (SF4, SOF2, SO2, H2S), degrades insulation performance of GIS. This paper devoted detection removal SF4 are not conducive insulation, by exploring new gas-sensing materials for characteristic detection. Based on first-principles calculation, one hand, most stable adsorption configurations rhodium-decorated gallium nitride nanotubes (Rh-GaNNTs) systems were obtained. On other doping mechanisms analyzed band structure, density states, deformation charge density, molecular orbital theory. Subsequently, gas-sensitive Rh-GaNNTs these four impurity gases was evaluated analyzing sensing response recovery time. The stability time ranked > SOF2 SO2 H2S; order influence sensitivity H2S ≈ SOF2. Calculation results show potential Rh-doped surfaces reusable sensors suggest their use scavengers remove especially

Language: Английский

Research on hydrogen storage and its gas sensing modulation of two-dimensional BeN4 monolayer in relation to concentration, humidity, and metal modification DOI

Luzhen Xie,

Wenhao Yang,

Wensheng Zhou

et al.

Fuel, Journal Year: 2025, Volume and Issue: 387, P. 134430 - 134430

Published: Jan. 21, 2025

Language: Английский

Citations

2

First-principles investigations of As-doped tetragonal boron nitride nanosheet for toxic gas sensing application DOI Creative Commons
Kamal Hossain, Mohammad Tanvir Ahmed,

Rabeya Akter Rabu

et al.

Nanoscale Advances, Journal Year: 2024, Volume and Issue: 7(1), P. 354 - 369

Published: Nov. 21, 2024

The adsorption of CO 2 , SO 3 and H S gases on pristine As-doped tetragonal boron nitride sheets (BNS) has been studied. As-doping significantly improves BNS's process.

Language: Английский

Citations

5

Strong Toxic Gas Detection on Penta-BCP Monolayers: Insights from DFT Calculations DOI Creative Commons
Thanasee Thanasarnsurapong,

Suchanuch Sringamprom,

Pakpoom Reunchan

et al.

Talanta Open, Journal Year: 2025, Volume and Issue: unknown, P. 100412 - 100412

Published: Jan. 1, 2025

Language: Английский

Citations

0

DFT based study to sense harmful gases (NH3, AsH3, BF3, BCl3) using Scandium Nitride monolayer for sensing device applications DOI

P Gowtham,

Mandar Jatkar

Micro and Nanostructures, Journal Year: 2025, Volume and Issue: unknown, P. 208100 - 208100

Published: Feb. 1, 2025

Language: Английский

Citations

0

Exploring the Sensing Performance of T-Graphene, T-Boron Nitride, and Their Lateral Heterostructure for Toxic CO, NO, NO2, and SO2 Gas Molecules DOI
Siraj Ud Daula Shamim, Ahmad Hassan Siddique,

Bivas Kumar Dash

et al.

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

Published: March 25, 2025

In this observation, density functional theory calculations were carried out to examine the adsorption performance of T-graphene (TG), T-boron nitride (TBN), and their heterostructure (TG-TBN) toward CO, SO2, NO, NO2 gas molecules. To observe sensing nanosheets, energy with distance, charge transfer, electronic properties, sensitivity, recovery time have been investigated. The molecules adsorbed in tetragonal (T) octagonal (O) sites which we found that O site was more favorable. case interaction between TG gases, low behavior has found, but TBN TG-TBN exhibit favorable gases. Among four SO2 interact chemisorption energy, are -0.911 -1.75 eV, at site, respectively. During interaction, gases gain -0.139e -0.428e charges from TBN. shows high properties NO energies -1.21 -1.35 DOS spectra show extra states generated Fermi level on nanosheets. Low times observed during desorption; TG-TBN, 0.19 1.56 s T for 28.32 41.04 molecule. Therefore, can be used as a sensor

Language: Английский

Citations

0

First-Principles Study on Gas Sensing Properties of Two-Dimensional SnSi2N4 Monolayer DOI

Shuaiqi Lv,

Zhao Wang, Pengtao Wang

et al.

Surfaces and Interfaces, Journal Year: 2025, Volume and Issue: unknown, P. 106453 - 106453

Published: April 1, 2025

Language: Английский

Citations

0

Unraveling mechanical and electronic attributes of MN4 (M= Be, Mg, Zn, Cd) monolayers with anisotropic Dirac cone and their excellent supercapacitive performances DOI

Krishnanshu Basak,

Arka Bandyopadhyay, Debnarayan Jana

et al.

Applied Surface Science, Journal Year: 2025, Volume and Issue: unknown, P. 163250 - 163250

Published: April 1, 2025

Language: Английский

Citations

0

Unlocking the sensing performance improvement of H-vacancy defect and Cu doping of diamane towards the SF6 decomposition gases DOI

Yifu Zhang,

Junhui Li, Haihui Zhang

et al.

Materials Today Communications, Journal Year: 2025, Volume and Issue: unknown, P. 112779 - 112779

Published: May 1, 2025

Language: Английский

Citations

0

Study on the Adsorption Behavior, Electronic and Gas-Sensing Properties of SF₆ Decomposition Products on Co- and Ni-Modified g-C₃N₄ Monolayer Films. DOI

Zhiyuan Zhu,

Qiuping Yang,

M. Y. Zhang

et al.

Physical Chemistry Chemical Physics, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

DFT reveals Co/Ni-doped g-C 3 N 4 strongly adsorbs SF 6 decomposition gases (SO 2 , H S, SOF SO F ). Ni doping offers the largest gap reduction and highest sensitivity; Co balances response stability for GIS sensors.

Language: Английский

Citations

0

Nb-embedded Janus WSSe monolayer as a resistive or Schottky gas sensor upon CO, HCHO and C2H3Cl in dry transformers: a first-principles investigation DOI
Dan He, Guangming Li, Wen Cao

et al.

Physics Letters A, Journal Year: 2025, Volume and Issue: unknown, P. 130669 - 130669

Published: May 1, 2025

Language: Английский

Citations

0