Heteroatoms (Si, B, N, and P) doped 2D monolayer MoS 2 for NH 3 gas detection

TE Gber, H Louis, AE Owen, BE Etinwa, I Benjamin… - RSC …, 2022 - pubs.rsc.org
2D transition metal dichalcogenide MoS2 monolayer quantum dots (MoS2-QD) and their
doped boron (B@ MoS2-QD), nitrogen (N@ MoS2-QD), phosphorus (P@ MoS2-QD), and …

Adsorption of NO2, NO, NH3, and CO on Noble Metal (Rh, Pd, Ag, Ir, Pt, Au)-Modified Hexagonal Boron Nitride Monolayers: A First-Principles Study

Y Zhang, C Qin, L Zhu, Y Wang, J Cao - Langmuir, 2023 - ACS Publications
To investigate the application of modified hexagonal boron nitride (h-BN) in the detection
and monitoring of harmful gases (NO2, NO, NH3, and CO), first-principles calculations are …

Adsorption and sensing performance of vented gases from lithium-ion batteries on transition-metal-doped GeTe nanosheets: A DFT investigation

W Zhang, J Tang, H Yuan, K Li, H Liu… - ACS Applied Nano …, 2023 - ACS Publications
Online monitoring of vented gases released by lithium-ion batteries (LIBs) during the early
stages of thermal runaway is a potential method for ensuring the operational state of LIBs …

Advances in 2D Materials Based Gas Sensors for Industrial Machine Olfactory Applications

P Wu, Y Li, A Yang, X Tan, J Chu, Y Zhang, Y Yan… - ACS …, 2024 - ACS Publications
The escalating development and improvement of gas sensing ability in industrial equipment,
or “machine olfactory”, propels the evolution of gas sensors toward enhanced sensitivity …

Studying the Adsorption of Gas Molecules and Defects on Modulating the Electronic Transport Characteristics of Monolayer Penta-BN2-Based Devices

N Yang, T Chen, Z Xu, G Liu, X Dong, Y Yu, X Xiao - Langmuir, 2023 - ACS Publications
Two-dimensional atomic layer materials, as an important part of the post-Moore era, have
recently become an ideal choice for the preparation of high-efficiency, low-power, and …

Atomic regulation to improve the sensing-performance of CoPc and NiPc monolayer toward chloromethane molecule: Insights from DFT calculations

Z Nie, R Xue, X He, G Xie, H Xiong - Surfaces and Interfaces, 2023 - Elsevier
The development of a high-performance gas sensor for efficient detection of harmful
chloromethane (CH 3 Cl) is of great importance to environmental monitoring and human …

Electronic Structure Property and Disposal Efficiency of 2,2-Dichloropropionic Acid Using Metalloid (B, Si and Ge)-Decorated Gallium Nano-clusters (Ga12X12 (X …

FC Asogwa, H Louis, TE Gber… - Journal of …, 2024 - ui.adsabs.harvard.edu
Theoretical evaluation of gallium nano-clusters decorated with certain metalloids (B, Si and
Ge)(Ga12X12, where X= N, O) as proficient adsorbents for 2, 4-dichloropropionic acid (Dal) …

DFT investigation of Pt-doped CTF-1 covalent triazine frameworks for adsorption and sensing of SF6 decomposition products

S Pourebrahimi, A De Visscher, GH Peslherbe - Surfaces and Interfaces, 2024 - Elsevier
We report a computational investigation of the gas adsorption and sensing properties of
pristine covalent triazine framework CTF-1 and its platinum atom (Pt)-doped counterpart …

Ru doped aluminum nitride monolayer for detecting and scavenging SF6 decomposition components

Q Li, D Chen, Y Liu, J Miao, C Zhang, X Chen… - Surfaces and …, 2023 - Elsevier
The SF 6 decomposition components detection and elimination are crucial for preventing
paralysis of the gas-insulated switchgear (GIS). In this work, Ru doped AlN monolayers with …

Characteristics and Performance of Layered Two-Dimensional Materials under Doping Engineering

H Liu, Z Huang, H Qiao, X Qi - Physical Chemistry Chemical Physics, 2024 - pubs.rsc.org
As an effective means to change the crystal structure, regulate the physical properties and
expand the application potential of layered two-dimensional (2D) materials, doping strategy …