Novel synthesis of KTP nanoparticles by combustion method using urea and glycine fuels

2022 ◽  
Vol 128 (1) ◽  
Author(s):  
N. Madari ◽  
E. Gharibshahian ◽  
M. J. Tafreshi
2007 ◽  
Vol 42 (1) ◽  
pp. 46-55
Author(s):  
Shingo Nakane ◽  
Yasuo Kobayashi ◽  
Masaru Yoshinaka ◽  
Ken Hirota ◽  
Osamu Yamaguchi

2019 ◽  
Author(s):  
Liqun Cao ◽  
Jinzhe Zeng ◽  
Mingyuan Xu ◽  
Chih-Hao Chin ◽  
Tong Zhu ◽  
...  

Combustion is a kind of important reaction that affects people's daily lives and the development of aerospace. Exploring the reaction mechanism contributes to the understanding of combustion and the more efficient use of fuels. Ab initio quantum mechanical (QM) calculation is precise but limited by its computational time for large-scale systems. In order to carry out reactive molecular dynamics (MD) simulation for combustion accurately and quickly, we develop the MFCC-combustion method in this study, which calculates the interaction between atoms using QM method at the level of MN15/6-31G(d). Each molecule in systems is treated as a fragment, and when the distance between any two atoms in different molecules is greater than 3.5 Å, a new fragment involved two molecules is produced in order to consider the two-body interaction. The deviations of MFCC-combustion from full system calculations are within a few kcal/mol, and the result clearly shows that the calculated energies of the different systems using MFCC-combustion are close to converging after the distance thresholds are larger than 3.5 Å for the two-body QM interactions. The methane combustion was studied with the MFCC-combustion method to explore the combustion mechanism of the methane-oxygen system.


2020 ◽  
Vol 61 (6) ◽  
pp. 725-731
Author(s):  
M. I. Alymov ◽  
V. I. Uvarov ◽  
R. D. Kapustin ◽  
A. O. Kirillov ◽  
V. E. Loryan

2000 ◽  
Author(s):  
Thorsten Schroer ◽  
Karl O. Christe
Keyword(s):  

2020 ◽  
Vol 17 (5) ◽  
pp. 396-403
Author(s):  
Nalla Krishna Rao ◽  
Tentu Nageswara Rao ◽  
Botsa Parvatamma ◽  
Y. Prashanthi ◽  
Ravi Kumar Cheedarala

Aims: A series of six 4-benzylidene-2-((1-phenyl-3,4-dihydro isoquinoline-2(1H)-yl)methyloxazol- 5(4H)-one derivatives were synthesized by condensation of substituted aryl aldehydes with 2-(2-(1-phenyl-3,4- dihydro isoquinoline-2(1H)-acetamido)acetic acid in the presence of sodium acetate, acetic anhydride and zinc oxide as catalysts. Background: Novel Synthesis of 4-Benzylidene-2-((1-phenyl-3,4-dihy droisoquinoline-2(1H)-yl)methyl)oxazol- 5(4H)-one derivatives using 1,2,3,Tetrahydroisoquinoline and their antimicrobial activity. Objective: The title compounds can be synthesized from 1,2,3,4-tetrahydroisoquinoline. Methods: The target molecules, i.e., 4-benzylidene-2-((1-phenyl-3, 4-dihydro isoquinoline-2(1H)-yl) methyl) oxazol-5(4H)-one derivatives (8a-8f) have been synthesized from 1,2,3,4-tetrahydroisoquinoline which was prepared from benzoic acid in few steps. Results: All the six compounds were evaluated based on advanced spectral data (1H NMR, 13C NMR & LCMS), and the chemical structures of all compounds were determined by elemental analysis. Conclusion: Antibacterial activity of the derivatives was examined for the synthesized compounds and results indicate that compound with bromine substitution has a good activity profile.


2020 ◽  
Vol 5 (3) ◽  
pp. 236-251
Author(s):  
Eshwara I. Naik ◽  
Halehatty S.B. Naik ◽  
Ranganaik Viswanath

Background: Various interesting consequences are reported on structural, optical, and photoluminescence properties of Zn1-xSmxO (x=0, 0.01, 0.03 and 0.05) nanoparticles synthesized by sol-gel auto-combustion route. Objective: This study aimed to examine the effects of Sm3+-doping on structural and photoluminescence properties of ZnO nanoparticles. Methods: Zn1-xSmxO (x=0, 0.01, 0.03 and 0.05) nanoparticles were synthesized by sol-gel auto combustion method. Results: XRD patterns confirmed the Sm3+ ion substitution through the undisturbed wurtzite structure of ZnO. The crystallite size was decreased from 24.33 to 18.46 nm with Sm3+ doping. The hexagonal and spherical morphology of nanoparticles was confirmed by TEM analysis. UV-visible studies showed that Sm3+ ion doping improved the visible light absorption capacity of Sm3+ iondoped ZnO nanoparticles. PL spectra of Sm3+ ion-doped ZnO nanoparticles showed an orange-red emission peak corresponding to 4G5/2→6HJ (J=7/2, 9/2 and 11/2) transition of Sm3+ ion. Sm3+ ion-induced PL was proposed with a substantial increase in PL intensity with a blue shift in peak upon Sm3+ content increase. Conclusion: Absorption peaks associated with doped ZnO nanoparticles were moved to a longer wavelength side compared to ZnO, with bandgap declines when Sm3+ ions concentration was increased. PL studies concluded that ZnO emission properties could be tuned in the red region along with the existence of blue peaks upon Sm3+ ion doping, which also results in enhancing the PL intensity. These latest properties related to Sm3+ ion-doped nanoparticles prepared by a cost-efficient process appear to be interesting in the field of optoelectronic applications, which makes them a prominent candidate in the form of red light-emitting diodes.


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