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Published in 2018 at "International Journal of Quantum Chemistry"
DOI: 10.1002/qua.25548
Abstract: We have investigated alkali, alkaline-earth, and rutile binary oxides within density functional theory (DFT) and Bader's atoms-in-molecules theory, focusing on properties of bond and ring critical points, and their relations to band gap and Pauling…
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Keywords:
bond metallicity;
bond;
density;
critical points ... See more keywords
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Published in 2017 at "Catalysis Letters"
DOI: 10.1007/s10562-017-2165-7
Abstract: SiO2, TiO2, and SiO2–TiO2 binary oxides supported Cu–ZnO catalysts prepared by co-precipitation method were compared in the hydrogenation of ethyl acetate (EA) to ethanol (EtOH), and it shows the SiO2–TiO2 binary oxides supported Cu–ZnO catalyst…
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Keywords:
tio2;
tio2 binary;
sio2 tio2;
spectroscopy ... See more keywords
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Published in 2017 at "Chemical Engineering Journal"
DOI: 10.1016/j.cej.2017.07.147
Abstract: Abstract A novel hydrolysis driving redox reaction via combining selective reduction of KMnO4 by H2O2 and hydrolysis of Fe salts has been successfully applied to rapidly prepare a series of homogenous Mn-Fe binary oxides (xMn1Fe).…
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Keywords:
toluene;
hydrolysis driving;
redox reaction;
binary oxides ... See more keywords
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Published in 2019 at "Chemosphere"
DOI: 10.1016/j.chemosphere.2018.09.128
Abstract: In recent years, significant effort has been made in the development of novel catalysts for the total oxidation of chlorinated volatile organic compounds. In this work the catalytic activity of Cu doped cerium-titanium binary oxides…
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Keywords:
titanium binary;
oxidation;
cerium titanium;
titanium ... See more keywords
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Published in 2019 at "Computational Materials Science"
DOI: 10.1016/j.commatsci.2019.01.046
Abstract: Abstract Despite their simplicity, the concepts of oxidation states (OS) and Bader charge are widely used in the analysis of experimental data and theoretical calculations for gaining physical and chemical insights. However, a connection between…
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Keywords:
data analytics;
bader charge;
oxides data;
oxidation states ... See more keywords
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Published in 2018 at "Microporous and Mesoporous Materials"
DOI: 10.1016/j.micromeso.2018.06.006
Abstract: Abstract A series of titanium-aluminum binary oxides are prepared through co-precipitation of metal salts with polyvinylpyrrolidone (PVP) in alkaline solution, along with dehydration. Most of synthetic oxides are composed of micro- or nano-sized blocks, while…
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Keywords:
nitration;
titanium aluminum;
binary oxides;
aluminum ... See more keywords
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Published in 2022 at "Nano letters"
DOI: 10.1021/acs.nanolett.2c01701
Abstract: Epitaxial growth is a powerful tool for synthesizing heterostructures and integrating multiple functionalities. However, interfacial mixing can readily occur and significantly modify the properties of layered structures, particularly for those containing energy storage materials with…
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Keywords:
binary oxides;
growth;
epitaxial growth;
spontaneous lithiation ... See more keywords
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Published in 2021 at "IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control"
DOI: 10.1109/tuffc.2020.2988361
Abstract: The observation of ferroelectric, ferromagnetic, and ferroelastic phases in thin films of binary oxides attracts the broad interest of scientists and engineers. However, the theoretical consideration of the physical nature of the observed behavior was…
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Keywords:
thin films;
oxygen vacancies;
binary oxides;
films binary ... See more keywords
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Published in 2022 at "Frontiers in Chemistry"
DOI: 10.3389/fchem.2021.840446
Abstract: To study the structure-performance relationship, a series of nanostructured Fe-Cu binary oxides (FCBOs) were prepared by varying synthesis conditions. The obtained binary oxides were well characterized using X-ray diffraction (XRD), transmission electron microscope (TEM), Brunner-Emmet-Teller…
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Keywords:
sorption;
binary oxides;
structure crystallinity;
structure ... See more keywords
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Published in 2020 at "Materials"
DOI: 10.3390/ma13061345
Abstract: This paper reports the sol-gel synthesis of Al2O3-Nd2O3 (Al-Nd-x; x = 5%, 10%, 15% and 25% of Nd2O3) binary oxides and the photodegradation of diclofenac activated by UV light. Al-Nd-based catalysts were analyzed by N2…
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Keywords:
using al2o3;
nd2o3 binary;
al2o3 nd2o3;
diclofenac ... See more keywords
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Published in 2022 at "Materials"
DOI: 10.3390/ma15030830
Abstract: High-κ dielectrics are insulating materials with higher permittivity than silicon dioxide. These materials have already found application in microelectronics, mainly as gate insulators or passivating layers for silicon (Si) technology. However, since the last decade,…
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Keywords:
binary oxides;
silicon carbide;
gallium nitride;
high permittivity ... See more keywords