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 …
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 …
Phosphorene defects for high-quality detection of nitric oxide and carbon monoxide: A periodic density functional study
The electronic and sensing properties of pristine and defect-tuned black phosphorus
monolayer for the monitoring of nitric oxide (NO) and carbon monoxide (CO) at two defect …
monolayer for the monitoring of nitric oxide (NO) and carbon monoxide (CO) at two defect …
Defect engineering and zinc oxide do** of black phosphorene for nitrogen dioxide capture and detection: quantum-chemical calculations
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 do** and decoration
This paper has addressed the sensing capabilities of black phosphorene (BP) modified
through ZnO decoration and do** at the HSE06/TZVP level of theory. For the ZnO …
through ZnO decoration and do** at the HSE06/TZVP level of theory. For the ZnO …
Hydrogen detection on black phosphorene doped with Ni, Pd, and Pt: Periodic density functional calculations
This article reports predicted hydrogen sensing performance data for black phosphorene
(BP) monolayer doped with group 10 elements (Ni, Pd, and Pt) at the HSE06/Def2-TZVP …
(BP) monolayer doped with group 10 elements (Ni, Pd, and Pt) at the HSE06/Def2-TZVP …