Recent advances in ultrathin 2D hexagonal boron nitride based gas sensors
The recent advances in the field of 2D hexagonal boron nitride (hBN) for realizing electronic
and optoelectronic devices, including wearable and portable devices, have aroused …
and optoelectronic devices, including wearable and portable devices, have aroused …
2D nanomaterials for realization of flexible and wearable gas sensors: A review
Gas sensors are extensively employed for monitoring and detection of hazardous gases and
vapors. Many of them are produced on rigid substrates, but flexible and wearable gas …
vapors. Many of them are produced on rigid substrates, but flexible and wearable gas …
A DFT study of dissolved gas (C2H2, H2, CH4) detection in oil on CuO-modified BNNT
X He, Y Gui, J **e, X Liu, Q Wang, C Tang - Applied Surface Science, 2020 - Elsevier
In this work, CuO modified BNNT surface was investigated by DFT calculation. We suppose
that BNNT is a potential gas sensitive material. The modified model is present, and the …
that BNNT is a potential gas sensitive material. The modified model is present, and the …
Utility of extrinsic [60] fullerenes as work function type sensors for amphetamine drug detection: DFT studies
Detection of illicit drugs is of increasing interest for police and drug communities because of
their abuse. Using density functional calculations, we investigated the interaction of …
their abuse. Using density functional calculations, we investigated the interaction of …
First principles investigations of Cobalt and Manganese doped boron nitride nanosheet for gas sensing application
In the present study, Cobalt (Co) and Manganese (Mn) doped Boron Nitride nanosheet
(BNNS) has been designed for density functional theory calculation. The variation in …
(BNNS) has been designed for density functional theory calculation. The variation in …
Gas-sensing properties and mechanism of Pd-GaNNTs for air decomposition products in ring main unit
W Chen, Y Gui, T Li, H Zeng, L Xu, Z Ding - Applied Surface Science, 2020 - Elsevier
Ring main unit acts as an important role in modern power transmission and distribution
systems. Partial electric discharge frequently occurs in ring main unit because of insulation …
systems. Partial electric discharge frequently occurs in ring main unit because of insulation …
Photocatalytic transition-metal-oxides-based p–n heterojunction materials: synthesis, sustainable energy and environmental applications, and perspectives
In recent years, photocatalysis has gained particular attention due to its crucial potential
applications in addressing many essential energy and environmental challenges …
applications in addressing many essential energy and environmental challenges …
Adsorption behavior of the Al-and Ga-doped B12N12 nanocages on COn (n= 1, 2) and HnX (n= 2, 3 and X= O, N): A comparative study
H Ghafur Rauf, S Majedi… - Chemical Review and …, 2019 - chemrevlett.com
In this work, density functional theory (DFT) calculations are performed at the M06-2X/6-31+
G* level to the adsorption of COn (n= 1, 2) and HnX (n= 2, 3 and X= O, N) molecules onto …
G* level to the adsorption of COn (n= 1, 2) and HnX (n= 2, 3 and X= O, N) molecules onto …
Sensing properties of BN nanotube toward carcinogenic 4-chloroaniline: a computational study
The viability of using a BN nanotube for detection of para-chloroaniline molecule was
studied by means of density functional theory calculations. The results indicate that the …
studied by means of density functional theory calculations. The results indicate that the …
Density Functional Theory Study of Cu-Modified B12N12 Nanocage as a Chemical Sensor for Carbon Monoxide Gas
AL Pereira Silva, JJG Varela Júnior - Inorganic Chemistry, 2022 - ACS Publications
The development of efficient B12N12-based toxic gas sensors has received considerable
attention from the scientific community. Thus, in this regard, quantum chemical calculations …
attention from the scientific community. Thus, in this regard, quantum chemical calculations …