2019
DOI: 10.3390/nano9101415
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From Ethanolamine Precursor Towards ZnO—How N Is Released from the Experimental and Theoretical Points of View

Abstract: This work presents experimental and computational studies on ZnO formation after decomposition of a sol-gel precursor containing ethanolamine and Zn(II) acetate. The structural modifications suffered during decomposition of the monomeric and dimeric Zn(II) complexes formed, containing bidentate deprotonated ethanolamine and acetato ligands, have been described experimentally and explained via Car-Parrinello Molecular Dynamics. Additional metadynamics simulations provide an overview of the dimer evolution by th… Show more

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Cited by 6 publications
(4 citation statements)
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“…ZnO-based thin films can be prepared using a variety of procedures [ 19 , 20 , 21 , 22 , 23 , 24 , 25 , 26 , 27 , 28 , 29 , 30 , 31 , 32 , 33 , 34 , 35 , 36 , 37 , 38 , 39 , 40 , 41 , 42 ], such as pulsed-laser [ 20 ], solvothermal/hydrothermal [ 21 , 22 ], electrochemical [ 23 , 24 ] and ultrasonic-mist-vapor deposition methods [ 25 ], spray pyrolysis [ 26 ], magnetron sputtering [ 27 ], microwave-assisted [ 28 ] procedures, and also the sol-gel method (SGM) [ 2 , 12 , 29 , 30 , 31 , 32 , 33 , 34 , 35 , 36 , 37 , 38 , 39 , 40 ], which is one of the most attractive and highly preferred, due to its low cost, simplicity, and feasibility. In general, the SGM requires a Zn(II) salt, an organic compound as stabilizer, and a solvent […”
Section: Introductionmentioning
confidence: 99%
“…ZnO-based thin films can be prepared using a variety of procedures [ 19 , 20 , 21 , 22 , 23 , 24 , 25 , 26 , 27 , 28 , 29 , 30 , 31 , 32 , 33 , 34 , 35 , 36 , 37 , 38 , 39 , 40 , 41 , 42 ], such as pulsed-laser [ 20 ], solvothermal/hydrothermal [ 21 , 22 ], electrochemical [ 23 , 24 ] and ultrasonic-mist-vapor deposition methods [ 25 ], spray pyrolysis [ 26 ], magnetron sputtering [ 27 ], microwave-assisted [ 28 ] procedures, and also the sol-gel method (SGM) [ 2 , 12 , 29 , 30 , 31 , 32 , 33 , 34 , 35 , 36 , 37 , 38 , 39 , 40 ], which is one of the most attractive and highly preferred, due to its low cost, simplicity, and feasibility. In general, the SGM requires a Zn(II) salt, an organic compound as stabilizer, and a solvent […”
Section: Introductionmentioning
confidence: 99%
“…The peaks at 705 cm −1 (rocking vibration of -CH 2 ), 951 cm −1 (vibration peaks of O-H, N-H) and 1017 cm −1 (stretching vibration of C-N) are absent in pristine ZMO NPs but become evident in post-treated and in situ hybrid counterparts, verifying that PA also acts as a surface ligand in the in situ hybrid ZMO NPs. 36,37 Consequently, in comparison with the post-treated ZMO NPs, the additional photoluminescence (PL) quenching observed in the in situ hybrid sample (Fig. 1c) can be attributed to sufficient coordination of M-O composites and consequent suppression of lattice defects.…”
Section: Resultsmentioning
confidence: 98%
“…One of the possible dopants may be nitrogen (N), which may bond with Zn. The annealing process leads to elongation of the Zn-N bond (whereas the Zn-O bond length does not change) [ 39 ]. It may lead to microstrains, which, in the case of DEA grown samples in the work of Ben Aziza et al [ 26 ], caused the prolongation of the c-axis.…”
Section: Discussionmentioning
confidence: 99%