Formaldehyde(HCHO) is a common indoor pollutant, long-term exposure to HCHO may harm human health. Its efficient removal at mild conditions is still challenging. The catalytic oxidation of HCHO molecules on a single a...Formaldehyde(HCHO) is a common indoor pollutant, long-term exposure to HCHO may harm human health. Its efficient removal at mild conditions is still challenging. The catalytic oxidation of HCHO molecules on a single atomic catalyst, Ti-decorated Ti3C2O2(Ti/Ti3C2O2) monolayer, is investigated by performing the first principles calculations in this work. It demonstrates that Ti atoms can be easily well dispersed at the form of single atom on Ti3C2O2 monolayer without aggregation. For HCHO catalytic oxidation, both Langmuir-Hinshelwood(LH) and Eley-Rideal(ER) mechanisms are considered. The results show that the step of HCHO dissociative adsorption on Ti/Ti3C2O2 with activated O2 can release high energy of 4.05 e V based on the ER mechanism, which can help to overcome the energy barrier(1.04 e V) of the subsequent reaction steps. The charge transfer from *OH group to CO molecule(dissociated from HCHO) not only promotes *OH group activation but also plays an important role in the H2 O generation along the ER mechanism. Therefore, HCHO can be oxidized easily on Ti/Ti3C2O2 monolayer, this work could provide significant guidance to develop effective non-noble metal catalysts for HCHO oxidation and broaden the applications of MXene-based materials.展开更多
The vortex-induced vibrations of a cylinder with two plates symmetrically distributed along the centerline of the wake are studied by using the fluid-structure interaction simulations on the Arbitrary Lagrangian-Euler...The vortex-induced vibrations of a cylinder with two plates symmetrically distributed along the centerline of the wake are studied by using the fluid-structure interaction simulations on the Arbitrary Lagrangian-Eulerian method.In this study,the different geo-metrical distribution parameters of the splitter plates and inflow velocities are taken into account.The physical mechanisms of vortex-induced vibration of the cylinder with symmetrical plates are revealed from the cylinder amplitude,hydrodynamic force characteristics,vortex shedding frequency,and flow pattern modification.The results show that the dynamic interaction between the vortex shed from the oscillation cylinder and plates is responsible for the wake stabilization mechanism,and the stable wake and the dynamic response reduction of the main cylinder can be achieved at a wide range of reduced velocities by placing sym-metrical sheets at suitable locations.展开更多
文摘Formaldehyde(HCHO) is a common indoor pollutant, long-term exposure to HCHO may harm human health. Its efficient removal at mild conditions is still challenging. The catalytic oxidation of HCHO molecules on a single atomic catalyst, Ti-decorated Ti3C2O2(Ti/Ti3C2O2) monolayer, is investigated by performing the first principles calculations in this work. It demonstrates that Ti atoms can be easily well dispersed at the form of single atom on Ti3C2O2 monolayer without aggregation. For HCHO catalytic oxidation, both Langmuir-Hinshelwood(LH) and Eley-Rideal(ER) mechanisms are considered. The results show that the step of HCHO dissociative adsorption on Ti/Ti3C2O2 with activated O2 can release high energy of 4.05 e V based on the ER mechanism, which can help to overcome the energy barrier(1.04 e V) of the subsequent reaction steps. The charge transfer from *OH group to CO molecule(dissociated from HCHO) not only promotes *OH group activation but also plays an important role in the H2 O generation along the ER mechanism. Therefore, HCHO can be oxidized easily on Ti/Ti3C2O2 monolayer, this work could provide significant guidance to develop effective non-noble metal catalysts for HCHO oxidation and broaden the applications of MXene-based materials.
基金supported by the National Natural Science Foundation of China(Grant No.11872174).
文摘The vortex-induced vibrations of a cylinder with two plates symmetrically distributed along the centerline of the wake are studied by using the fluid-structure interaction simulations on the Arbitrary Lagrangian-Eulerian method.In this study,the different geo-metrical distribution parameters of the splitter plates and inflow velocities are taken into account.The physical mechanisms of vortex-induced vibration of the cylinder with symmetrical plates are revealed from the cylinder amplitude,hydrodynamic force characteristics,vortex shedding frequency,and flow pattern modification.The results show that the dynamic interaction between the vortex shed from the oscillation cylinder and plates is responsible for the wake stabilization mechanism,and the stable wake and the dynamic response reduction of the main cylinder can be achieved at a wide range of reduced velocities by placing sym-metrical sheets at suitable locations.
