Modeling of magnesium-decorated graphene quantum dot nanostructure for trapping AsH 3, PH 3 and NH 3 gases
EC Agwamba, H Louis, PO Olagoke, TE Gber… - RSC …, 2023 - pubs.rsc.org
A magnesium-decorated graphene quantum dot (C24H12-Mg) surface has been examined
theoretically using density functional theory (DFT) computations at the ωB97XD/6-311++ G …
theoretically using density functional theory (DFT) computations at the ωB97XD/6-311++ G …
HKUST-1 and its graphene oxide composites: Finding an efficient adsorbent for SO2 capture
R Pan, Y Tang, Y Guo, J Shang, L Zhou, W Dong… - Microporous and …, 2021 - Elsevier
To develop effective SO 2 adsorbents, HKUST-1 and HKUST-1@ GO were synthesized by
hydrothermal and room-temperature methods, and characterized by SEM, BET, XRD, TG …
hydrothermal and room-temperature methods, and characterized by SEM, BET, XRD, TG …
A DFT modulated analysis of manganese doped graphene nanoribbons as a potential material for sensing of highly toxic gases CO, PH3 and SbH3
A theoretical Density-functional theory (DFT) study has been carried out to explore the
interaction of highly toxic gases carbon monoxide (CO), phosphine (PH 3) and stibine (SbH …
interaction of highly toxic gases carbon monoxide (CO), phosphine (PH 3) and stibine (SbH …
Systematic nanoarchitectonics of copper-and zinc-metal organic frameworks through ultrasonic assisted reverse micelle route for efficient adsorbents towards arsine …
In this study, Cu and Zn-metal organic framework nanostructures were synthesized in the
shortest possible time and with high efficiency using the ultrasonic assisted reverse micelle …
shortest possible time and with high efficiency using the ultrasonic assisted reverse micelle …
DFT investigation of BN, AlN, and SiC fullerene sensors for arsine gas detection and removal
Quantum chemical density functional theory (DFT) calculations were performed to
investigate the adsorption of arsine (AsH3) gaseous substance at the surface of …
investigate the adsorption of arsine (AsH3) gaseous substance at the surface of …
Density functional theory based analyses of beryllium oxide fullerene assisted adsorptions of ammonia, phosphine, and arsine toxic gases towards sensing and …
CY Hsu, MJ Saadh, AG Taki, SK Mohammed… - Colloids and Surfaces A …, 2024 - Elsevier
The gas sensing and removal prospective was investigated in the current work to analyze a
beryllium oxide (BeO) fullerene for the adsorptions of ammonia (NH 3), phosphine (PH 3) …
beryllium oxide (BeO) fullerene for the adsorptions of ammonia (NH 3), phosphine (PH 3) …
Theoretical investigation of gas sensing properties of a monolayer gallenene: First-principles insight
P Kumar, S Singh, DK Sharma, S Kumar - Materials Today …, 2024 - Elsevier
Two dimensional (2D) materials exhibit potential to be used in thin film electronic devices. In
present paper, we explore 2D polymorphs of α-Ga by performing ab− initio calculations …
present paper, we explore 2D polymorphs of α-Ga by performing ab− initio calculations …
Optical properties of hBN quantum dots for ammonia gas detection
S Shojaee, J Karamdel, M Berahman… - Optical and Quantum …, 2023 - Springer
Detecting ammonia gas in low concentration with proper selectivity is crucial due to its
harmful effects on human health and industry. Even low ammonia concentrations can cause …
harmful effects on human health and industry. Even low ammonia concentrations can cause …
[PDF][PDF] Ultrasonic assisted inverse micelle as an effective route for fabrication of copper-and zinc-metal organic frameworks as highly efficient adsorbents towards …
T Shahriari, P Kazemzadeh, M Zeraati, NPS Chauhan… - 2022 - scholar.archive.org
Since it is essential to select the adsorbents, which are prepared with fast, environmentally
friendly, and affordable methods, therefore, in this study, the Cu-and Zn-metal organic …
friendly, and affordable methods, therefore, in this study, the Cu-and Zn-metal organic …
UARM Effective Route for Cu-and Zn-MOFs as Highly Efficient Adsorbents Towards Arsine (AsH3) Gas Adsorption: Design and a Systematic Study
T Shahriari, P Kazemzadeh, M Zeraati - 2021 - researchsquare.com
Since it is essential to select the adsorbents, which are prepared with fast, environmentally
friendly, and affordable methods, therefore, in this study, the Cu-and Zn-metal organic …
friendly, and affordable methods, therefore, in this study, the Cu-and Zn-metal organic …