Adsorption and Sensing Performance toward Methanol Vapor on SnS/SnS2 In-Plane Heterostructures
Y Qin, S Chen, Y Bai - ACS Applied Electronic Materials, 2022 - ACS Publications
Group-IV monochalcogenides MX (M= Ge, Sn; X= S, Se) show great potential in gas-
sensing applications due to their unique two-dimensional (2D) geometry with a puckered …
sensing applications due to their unique two-dimensional (2D) geometry with a puckered …
Impact of N2O Gas Adsorption Upon Electronic Properties of 2D MoSe2 Monolayer: A DFT Approach
We have investigated the impact of toxic N 2 O gas adsorption upon structural and electronic
properties of two-dimensional (2D) MoSe 2 monolayer using density functional theory (DFT) …
properties of two-dimensional (2D) MoSe 2 monolayer using density functional theory (DFT) …
Structural and mechanical properties characterization of arsenene nanosheets under do** effect of transition metals: A DFT study
In the current study, the density functional theory is utilized to investigate the elastic and
plastic properties of the 2× 2 and 3× 3 pristine and transition metal (TM) doped arsenene …
plastic properties of the 2× 2 and 3× 3 pristine and transition metal (TM) doped arsenene …
[HTML][HTML] DFT-based study on H2S and SOF2 adsorption on Si-MoS2 monolayer
Abstract H 2 S and SOF 2 gas are two typical decomposition products of SF 6 gas under
partial discharge condition. Based on the density functional theory (DFT), several do** …
partial discharge condition. Based on the density functional theory (DFT), several do** …
Detection of covid-19 through a heptanal biomarker using transition metal doped graphene
A Zhu, X Luo - The Journal of Physical Chemistry B, 2022 - ACS Publications
A rapid and noninvasive way to monitor the spread of COVID-19 is the detection of SARS-
CoV-2 biomarkers from exhaled breath. Heptanal was identified as a key biomarker which …
CoV-2 biomarkers from exhaled breath. Heptanal was identified as a key biomarker which …
[HTML][HTML] H2S and SO2 adsorption on Pt-MoS2 adsorbent for partial discharge elimination: A DFT study
H Qian, W Lu, X Wei, W Chen, J Deng - Results in Physics, 2019 - Elsevier
SF 6 inevitably decomposes to various decomposition products under partial discharge in
SF 6-insulated equipment. Therefore, in order to ensure the running stability of the …
SF 6-insulated equipment. Therefore, in order to ensure the running stability of the …
Adsorption for SO2 gas molecules on B, N, P and Al doped MoS2: The DFT study
In this paper, we investigated SO 2 adsorption on B, N, P and Al doped MoS 2, which band
structure, density of states, charge transfer, etc by the density function theory (DFT) …
structure, density of states, charge transfer, etc by the density function theory (DFT) …
Investigation on adsorption properties of CO and NO gas molecules on aluminene nanosheet: a density functional application
The electronic properties of monolayer aluminene nanosheet and adsorption properties of
CO and NO gas molecules on aluminene nanosheet are investigated using first-principles …
CO and NO gas molecules on aluminene nanosheet are investigated using first-principles …
Density functional studies on the binding of methanol and ethanol molecules to graphyne nanosheet
The electronic properties and structural stability of zigzag graphyne nanosheet is
investigated with density functional theory (DFT) technique. The structural stability of …
investigated with density functional theory (DFT) technique. The structural stability of …
First-principles investigation on structural and electronic properties of antimonene nanoribbons and nanotubes
The electronic properties of antimonene nanotubes and nanoribbons hydrogenated along
the zigzag and armchair borders are investigated with the help of density functional theory …
the zigzag and armchair borders are investigated with the help of density functional theory …