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Porous silicon carbide (SiC): a chance for improving catalysts or just another active-phase carrier?
There is an obvious gap between efforts dedicated to the control of chemicophysical and
morphological properties of catalyst active phases and the attention paid to the search of …
morphological properties of catalyst active phases and the attention paid to the search of …
SiC nanostructures toward biomedical applications and its future challenges
The present work reviews current research activities for possible applications of silicon
carbide (SiC) nanostructures. The main attention is devoted to emerging biomedical …
carbide (SiC) nanostructures. The main attention is devoted to emerging biomedical …
The adsorption of bromomethane onto the exterior surface of aluminum nitride, boron nitride, carbon, and silicon carbide nanotubes: a PBC-DFT, NBO, and QTAIM …
MD Mohammadi, M Hamzehloo - Computational and Theoretical …, 2018 - Elsevier
The adsorption of bromomethane (CH 3 Br) onto the outer surface of the pristine armchair (5,
5) single-walled aluminum nitride nanotube (AlNNT), boron nitride nanotube (BNNT) …
5) single-walled aluminum nitride nanotube (AlNNT), boron nitride nanotube (BNNT) …
First-principles study of CO and NO adsorption on transition metals doped (8, 0) boron nitride nanotube
Y **e, YP Huo, JM Zhang - Applied surface science, 2012 - Elsevier
To explore the novel application of boron nitride nanotube (BNNT), we have investigated the
structural, magnetic and electronic properties of CO and NO molecules adsorption on …
structural, magnetic and electronic properties of CO and NO molecules adsorption on …
The adsorption of chlorofluoromethane on pristine and Ge-doped silicon carbide nanotube: a PBC-DFT, NBO, and QTAIM study
The feasibility of detecting the chlorofluoromethane (CFM) onto the outer surface of pristine
silicon carbide nanotube (SiCNT), as well as its germanium doped structures (SiCGeNT) …
silicon carbide nanotube (SiCNT), as well as its germanium doped structures (SiCGeNT) …
The adsorption of bromochlorodifluoromethane on pristine and Ge-doped silicon carbide nanotube: a PBC-DFT, NBO, and QTAIM study
M Doust Mohammadi, HY Abdullah - Structural Chemistry, 2021 - Springer
In the present investigation, the feasibility of detecting the bromochlorodifluoromethane
(BCF) gas molecule onto the outer surface of pristine single-wall silicon carbide nanotube …
(BCF) gas molecule onto the outer surface of pristine single-wall silicon carbide nanotube …
Carbon nanotubes doped with Ni, Pd and Pt: A density functional theory study of adsorption and sensing NO
S Demir, MF Fellah - Surface Science, 2020 - Elsevier
In present work, the Density-Functional-Theory computations were applied for the platinum,
nickel and palladium doped (6, 0) single-walled carbon nanotubes (SWCNTs) to investigate …
nickel and palladium doped (6, 0) single-walled carbon nanotubes (SWCNTs) to investigate …
[HTML][HTML] N2O reduction over a fullerene-like boron nitride nanocage: A DFT study
MD Esrafili - Physics Letters A, 2017 - Elsevier
We study, for the first time, the adsorption and catalytic decomposition of N 2 O molecule
over a fullerene-like boron nitride nanocage (B 12 N 12) using density functional theory …
over a fullerene-like boron nitride nanocage (B 12 N 12) using density functional theory …
Can silicon carbide nanotubes sense carbon dioxide?
J Zhao, Y Ding - Journal of Chemical Theory and Computation, 2009 - ACS Publications
Detection of carbon dioxide (CO2) is very important in environmental, biological, and
industrial processes. Recent experiment showed that carbon nanotubes can act as chemical …
industrial processes. Recent experiment showed that carbon nanotubes can act as chemical …
Nitrogen-doped graphene as an excellent candidate for selective gas sensing
CC Ma, XH Shao, DP Cao - Science China Chemistry, 2014 - Springer
The toxic gases, such as CO and NO, are highly dangerous to human health and even
cause the death of person and animals in a tiny amount. Therefore, it is very necessary to …
cause the death of person and animals in a tiny amount. Therefore, it is very necessary to …