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Tuning electronic and optical properties of CsPbI3 by applying strain: A first-principles theoretical study
No full textIn this study, the effect of hydrostatic strain on the structural, electronic and optical properties of CsPbI3 was investigated by using first-principles calculations. The calculated results show that the band gap of CsPbI3 can be tuned from 1.03 to 2.14 eV when the strain ranges from - 5% to 5%. A suitable band gap (1.34 eV) of CsPbI3 can be obtained under a strain of -3% (1.40 GPa). The calculated elastic constants further imply that this compound is stable under the abovementioned condition. Moreover, bandgap narrowing leads to the stronger optical absorption in the visible light region
Carbon dioxide hydrogenation to light olefins over ZnO-Y2O3 and SAPO-34 bifunctional catalysts
No full textConversion of CO2 using renewable hydrogen to produce valuable chemicals has recently become highly attractive. Light olefins are important basic monomers for the production of various commodities. This work developed a bifunctional catalyst composed of ZnO-Y2O3 oxide and SAPO-34 zeolite, which catalyzes the selective hydrogenation of CO2 to light olefins with a selectivity in hydrocarbons reaching 83.9% at a conversion of 27.6% at 390 degrees C. The obtained results demonstrated that CO2 conversion and product distribution are strongly dependent on the oxide composition and structure. This new bimetallic oxide catalyst appears promising for further development of CO2 conversion to other valuable chemicals
Zero-thermal-quenching and photoluminescence tuning with the assistance of carriers from defect cluster traps (vol 6, pg 10687, 2018)
No full textNational Undergraduate Training Program for Innovation and Entrepreneurship[201710615001]
No full textRecent Progress in Methanol-to-Olefins (MTO) Catalysts
No full textMethanol conversion to olefins, as an important reaction in C1 chemistry, provides an alternative platform for producing basic chemicals from nonpetroleum resources such as natural gas and coal. Methanol-to-olefin (MTO) catalysis is one of the critical constraints for the process development, determining the reactor design, and the profitability of the process. After the construction and commissioning of the world's first MTO plant by Dalian Institute of Chemical Physics, based on high-efficiency catalyst and fluidization technology in 2010, more attention has been attracted for a deep understanding of the reaction mechanism and catalysis principle, which has led to the continuous development of catalysts and processes. Herein, the recent progress in MTO catalyst development is summarized, focusing on the advances in the optimization of SAPO-34 catalysts, together with the development efforts on catalysts with preferential ethylene or propylene selectivity
