Heterogeneous catalysts for gas-phase conversion of ethylene to higher olefins
M Ghashghaee - Reviews in Chemical Engineering, 2018 - degruyter.com
The reduced availability of propylene and C4 products from steam crackers continues to
provoke on-purpose technologies for light olefins such that almost 30% of propylene in 2025 …
provoke on-purpose technologies for light olefins such that almost 30% of propylene in 2025 …
Conductivity tuning of charged triazine and heptazine graphitic carbon nitride (g-C3N4) quantum dots via nonmetal (B, O, S, P) doping: DFT calculations
Chemical doping of graphitic carbon nitride (gC 3 N 4) quantum dots with nontoxic
heteroatoms has proven to be an effective means for tuning the electrical properties of this …
heteroatoms has proven to be an effective means for tuning the electrical properties of this …
Remarkable improvement in phosgene detection with a defect-engineered phosphorene sensor: first-principles calculations
This paper has addressed the monitoring of phosgene (COCl2) via pristine (BP) and
defective (DP) phosphorene monolayer nanosensors at the HSE06/TZVP level of theory …
defective (DP) phosphorene monolayer nanosensors at the HSE06/TZVP level of theory …
Ag/CdO/Fe3O4@MWCNTs Promoted Green Synthesis of Novel Triazinopyrrolothiazepine: Investigation of Antioxidant and Antimicrobial Activity
N Karami Hezarcheshmeh, F Godarzbod… - Polycyclic Aromatic …, 2023 - Taylor & Francis
In this study a new, economical and green method was reported for the synthesis of
Ag/CdO/Fe3O4@ multi-walled carbon nanotubes (MWCNTs) MNCs as a new …
Ag/CdO/Fe3O4@ multi-walled carbon nanotubes (MWCNTs) MNCs as a new …
Defect engineering and zinc oxide doping of black phosphorene for nitrogen dioxide capture and detection: quantum-chemical calculations
M Ghashghaee, M Ghambarian - Applied Surface Science, 2020 - Elsevier
This article deals with the adsorption properties of pristine, defected, and ZnO-doped black
phosphorene (BP) monolayer slabs for nitrogen dioxide (NO 2) capture and detection at the …
phosphorene (BP) monolayer slabs for nitrogen dioxide (NO 2) capture and detection at the …
Kinetic models for hydroconversion of furfural over the ecofriendly Cu-MgO catalyst: An experimental and theoretical study
For the first time, the Eley–Rideal mechanism and different forms of Langmuir–Hinshelwood
mechanism were modeled by including the contributions of the reactants and product in a …
mechanism were modeled by including the contributions of the reactants and product in a …
[HTML][HTML] Defective phosphorene for highly efficient formaldehyde detection: Periodic density functional calculations
The exfoliation of black phosphorene has spurred a great deal of research interest in
improved sensors and electronic devices in the past few years. This article has dealt with the …
improved sensors and electronic devices in the past few years. This article has dealt with the …
Adsorption of iron (II, III) cations on pristine heptazine and triazine polymeric carbon nitride quantum dots of buckled and planar structures: theoretical insights
The adsorption of the Fe 2+ and Fe 3+ cations on four surface models of graphitic carbon
nitride quantum dots, including planar and corrugated nanosheets of triazine and heptazine …
nitride quantum dots, including planar and corrugated nanosheets of triazine and heptazine …
Influence of NiO decoration on adsorption capabilities of black phosphorus monolayer toward nitrogen dioxide: periodic DFT calculations
This paper deals with the influence of NiO decoration of black phosphorene (BP) monolayer
with respect to nitrogen dioxide (NO2) capture and monitoring. The most stable configuration …
with respect to nitrogen dioxide (NO2) capture and monitoring. The most stable configuration …
Theoretical insights into hydrogen sensing capabilities of black phosphorene modified through ZnO doping and decoration
This paper has addressed the sensing capabilities of black phosphorene (BP) modified
through ZnO decoration and doping at the HSE06/TZVP level of theory. For the ZnO …
through ZnO decoration and doping at the HSE06/TZVP level of theory. For the ZnO …