[HTML][HTML] A first-principle investigation of NO2 adsorption behavior on Co, Rh, and Ir-embedded graphitic carbon nitride: Looking for highly sensitive gas sensor
First-principle calculations were performed to investigate the adsorption behavior of NO 2
gas on the pristine graphitic carbon nitride (gCN) and transition metals (TM)-embedded gCN …
gas on the pristine graphitic carbon nitride (gCN) and transition metals (TM)-embedded gCN …
Functionalization of GaN Nanowire sensors with metal oxides: an experimental and DFT investigation
The detection of NO 2 molecules by GaN nanowire sensors which were functionalized with
various metal oxides have been comprehensively studied with device fabrication …
various metal oxides have been comprehensively studied with device fabrication …
Highly sensitive and on-site NO 2 SERS sensors operated under ambient conditions
Nitrogen dioxide (NO2) produced by hydrocarbon combustion has a significant adverse
impact on human health and the environment. In the current work, we developed a high …
impact on human health and the environment. In the current work, we developed a high …
Molecular design of O3 and NO2 sensor devices based on a novel heterostructured N-doped TiO2/ZnO nanocomposite: a van der Waals corrected DFT study
A Abbasi, JJ Sardroodi - Journal of Nanostructure in Chemistry, 2017 - Springer
We have presented a density functional theory study of the adsorption properties of NO 2
and O 3 molecules on heterostructured TiO 2/ZnO nanocomposites. The most stable …
and O 3 molecules on heterostructured TiO 2/ZnO nanocomposites. The most stable …
[HTML][HTML] Study of Adsorption of H2 and CO2 on Distorted Structure of MOF-5 Framework; A Comprehensive DFT Study
To investigate the adsorption property of H2 and CO2 on the organic ligand of C-MOF-5
(H2BDC) and T-MOF-5 (ZnO-doped H2BDC (ZnO-H2BDC)), Density functional theory (DFT) …
(H2BDC) and T-MOF-5 (ZnO-doped H2BDC (ZnO-H2BDC)), Density functional theory (DFT) …
The Interaction of Acrolein with Pristine and N-doped TiO2 Anatase Nanoparticles: A DFT Study.
A Abbasi, JJ Sardroodi - Acta Chimica Slovenica, 2016 - search.ebscohost.com
Density functional theory calculations were carried out in order to study the effects of the
adsorption of acrolein molecule on the structural and electronic properties of TiO2 anatase …
adsorption of acrolein molecule on the structural and electronic properties of TiO2 anatase …
Application of TiO2-supported Au for ozone molecule removal from environment: a van der Waals-corrected DFT study
A Abbasi, JJ Sardroodi - … journal of environmental science and technology, 2019 - Springer
In this paper, we examined the interaction of ozone molecule with TiO 2-supported Au
nanoparticles by performing first-principles calculations within density functional theory. The …
nanoparticles by performing first-principles calculations within density functional theory. The …
[PDF][PDF] Highly Sensitive Detection of H
SAOB Nanosensors, A Van Der Waals - 2017 - journals.iau.ir
The adsorption of the H2S molecule on the undoped and N-doped TiO2 anatase supported
Au nanoparticles were studied using density functional theory calculations. The adsorption …
Au nanoparticles were studied using density functional theory calculations. The adsorption …
[PDF][PDF] Adsorption Behaviors of Curcumin on N-doped TiO
A Abbasi, JJ Sardroodi - 2014 - journals.iau.ir
The density functional theory (DFT) calculations were used to get information concerning the
interaction of curcumin with pristine and N-doped TiO2 anatase nanoparticles. Three …
interaction of curcumin with pristine and N-doped TiO2 anatase nanoparticles. Three …