Germanium‐based monoelemental and binary two‐dimensional materials: Theoretical and experimental investigations and promising applications
Abstract Two‐dimensional (2D) materials based on group IVA elements have attracted
extensive attention owing to their rich chemical structures and novel properties. This …
extensive attention owing to their rich chemical structures and novel properties. This …
2D functionalized germananes: Synthesis and applications
In the realm of 2D layered materials, the monoelemental group 14 Xene, germanene, as the
germanium analog of graphene, has emerged as the next prospective candidate. Preceded …
germanium analog of graphene, has emerged as the next prospective candidate. Preceded …
A DFT study of toxic gases (NH3, C2H2, NO) adsorption and detection on metal oxides (CuO, Ag2O, In2O3) modified MoTe2 monolayer
Y Liu, M Ren, B Song, M Dong - Applied Surface Science, 2023 - Elsevier
In this study, metal oxides (CuO, Ag 2 O, In 2 O 3) modified MoTe 2 were selected to
investigate its adsorption and detection properties for three typical industrial toxic gases (NH …
investigate its adsorption and detection properties for three typical industrial toxic gases (NH …
Modeling of magnesium-decorated graphene quantum dot nanostructure for trap** 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 …
A DFT investigation: high-capacity hydrogen storage in metal-decorated doped germanene
Germanene is a two-dimensional nanomaterial that has been successfully synthesized and
has promising applications in sensing and energy storage. Recent research has focused on …
has promising applications in sensing and energy storage. Recent research has focused on …
Pristine and metal decorated biphenylene monolayer for enhanced adsorption of nitrobenzene: A DFT approach
This work reports a first-principles density functional theory (DFT) investigation of
nitrobenzene (NB) sensing in pristine and metal-decorated biphenylene (p-BP and m-BP …
nitrobenzene (NB) sensing in pristine and metal-decorated biphenylene (p-BP and m-BP …
Pristine and transition metal decorated holey graphyne monolayer as an ammonia sensor: insights from DFT simulations
The first-principles density functional theory method has been employed to comprehensively
investigate adsorption configurations, adsorption energies, electronic properties, and gas …
investigate adsorption configurations, adsorption energies, electronic properties, and gas …
Influence of vacancy defects on 2D BeN4 monolayer for NH3 adsorption: a density functional theory investigation
Two-dimensional materials have attracted a great deal of interest in develo**
nanodevices for gas-sensing applications over the years. The 2D BeN 4 monolayer, a …
nanodevices for gas-sensing applications over the years. The 2D BeN 4 monolayer, a …
[HTML][HTML] Adsorption mechanism of AsH3 pollutant on metal-functionalized coronene C24H12-X (X= Mg, Al, K) quantum dots
Inorganic arsenic compounds are frequently found to occur naturally or as a result of mining
in soils, sediments, and groundwater. Organic arsenic exists mainly in fish, shellfish, and …
in soils, sediments, and groundwater. Organic arsenic exists mainly in fish, shellfish, and …
Metal-decorated siligene as work function type sensor for NH3 detection: A DFT approach
In this work, we employed density functional theory calculations to investigate the feasibility
of X-decorated (X= Li, Na, K, Mg, Ca, Sc, Ti, and Pd) two-dimensional siligene (2D SiGe) for …
of X-decorated (X= Li, Na, K, Mg, Ca, Sc, Ti, and Pd) two-dimensional siligene (2D SiGe) for …