First-principles modeling of resistance switching in perovskite oxide material

2006 ◽  
Vol 89 (4) ◽  
pp. 042904 ◽  
Author(s):  
Sang Ho Jeon ◽  
Bae Ho Park ◽  
Jaichan Lee ◽  
Bora Lee ◽  
Seungwu Han
Keyword(s):  
First Principles ◽  
Resistance Switching ◽  
Perovskite Oxide ◽  
Oxide Material

scholarly journals Understanding the Impact of Hydrogen Activation by SrCe0.8Zr0.2O3−δ Perovskite Membrane Material on Direct Non-Oxidative Methane Conversion

2022 ◽  
Vol 9 ◽  
Author(s):  
Sichao Cheng ◽  
Su Cheun Oh ◽  
Mann Sakbodin ◽  
Limei Qiu ◽  
Yuxia Diao ◽  
...  
Keyword(s):  
Methane Conversion ◽  
Membrane Reactor ◽  
Membrane Reactors ◽  
Fixed Bed Reactor ◽  
Perovskite Oxide ◽  
Oxide Material ◽  
Hydrogen Activation ◽  
Permeable Membrane ◽  
The Impact

Direct non-oxidative methane conversion (DNMC) converts methane (CH4) in one step to olefin and aromatic hydrocarbons and hydrogen (H2) co-product. Membrane reactors comprising methane activation catalysts and H2-permeable membranes can enhance methane conversion by in situ H2 removal via Le Chatelier's principle. Rigorous description of H2 kinetic effects on both membrane and catalyst materials in the membrane reactor, however, has been rarely studied. In this work, we report the impact of hydrogen activation by hydrogen-permeable SrCe0.8Zr0.2O3−δ (SCZO) perovskite oxide material on DNMC over an iron/silica catalyst. The SCZO oxide has mixed ionic and electronic conductivity and is capable of H2 activation into protons and electrons for H2 permeation. In the fixed-bed reactor packed with a mixture of SCZO oxide and iron/silica catalyst, stable and high methane conversion and low coke selectivity in DNMC was achieved by co-feeding of H2 in methane stream. The characterizations show that SCZO activates H2 to favor “soft coke” formation on the catalyst. The SCZO could absorb H2in situ to lower its local concentration to mitigate the reverse reaction of DNMC in the tested conditions. The co-existence of H2 co-feed, SCZO oxide, and DNMC catalyst in the present study mimics the conditions of DNMC in the H2-permeable SCZO membrane reactor. The findings in this work offer the mechanistic understanding of and guidance for the design of H2-permeable membrane reactors for DNMC and other alkane dehydrogenation reactions.

scholarly journals Predicted polymorph manipulation in an exotic double perovskite oxide

2019 ◽  
Vol 7 (39) ◽  
pp. 12306-12311 ◽  
Author(s):  
He-Ping Su ◽  
Shu-Fang Li ◽  
Yifeng Han ◽  
Mei-Xia Wu ◽  
Churen Gui ◽  
...  
Keyword(s):  
Phase Transition ◽  
Density Functional Theory ◽  
First Principles ◽  
Density Functional ◽  
Double Perovskite ◽  
Density Functional Theory Calculations ◽  
Perovskite Oxide ◽  
Functional Theory ◽  
First Time ◽  
Perovskite Type

First-principles density functional theory calculations, for the first time, was used to predict the Mg3TeO6-to-perovskite type phase transition in Mn3TeO6 at around 5 GPa.

scholarly journals TEM and FESEM investigation of Lanthanum nickelate thin films obtained by chemical solution deposition

2012 ◽  
Vol 6 (2) ◽  
pp. 103-107
Author(s):  
Milica Pocuca-Nesic ◽  
Goran Brankovic ◽  
Slavko Bernik ◽  
Aleksander Recnik ◽  
Dana Vasiljevic-Radovic ◽  
...  
Keyword(s):  
Thin Films ◽  
Amorphous Layer ◽  
Perovskite Oxide ◽  
Complex Method ◽  
Oxide Material ◽  
Oriented Growth ◽  
Solution Deposition ◽  
Si Substrates ◽  
Substrate Side ◽  
Lanthanum Nickelate

Lanthanum nickelate (LNO) is a perovskite oxide material with metallic conductivity in a wide temperature range which makes it suitable for application as electrode material for thin films. In this paper LNO thin films were prepared by polymerizable complex method from the diluted citrate solutions. Precursor solutions were spin coated onto Si-substrates with amorphous layer of SiO2. Deposited layers were thermally treated from the substrate side with low heating rate (1?/min) up to 700?C and finally annealed for 10 hours. Results of AFM and FESEM showed that films are very smooth (Ra = 4 nm), dense, crack-free and with large square-shaped grains (170 nm). According to FESEM and TEM results the obtained four-layered film was only 65 nm thin. EBSD and XRD analyses confirmed polycrystalline microstructure of the films without preferential orientation. It was concluded that the presence of SiO2 layer on Si substrate prevents epitaxial or oriented growth of LNO.

Fully-transparent resistance switching memristor based on indium-tin-oxide material

2020 ◽  
Vol 30 (4) ◽  
pp. 045003 ◽  
Author(s):  
Po-Hsun Chen ◽  
Hong-Yi Yang ◽  
Yu-Ting Su ◽  
Chia-Min Tsou
Keyword(s):  
Tin Oxide ◽  
Indium Tin Oxide ◽  
Resistance Switching ◽  
Oxide Material

Design of two-dimensional electron gas systems via polarization discontinuity from large-scale first-principles calculations

2018 ◽  
Vol 6 (25) ◽  
pp. 6680-6690 ◽  
Author(s):  
Jianli Cheng ◽  
Kesong Yang
Keyword(s):  
First Principles ◽  
Large Scale ◽  
Electron Gas ◽  
Perovskite Oxide ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Dimensional Electron ◽  
Two Dimensional Electron Gas ◽  
Efficient Approach ◽  
Dimensional Electron Gas

This work demonstrates an efficient approach to design perovskite-oxide-based two dimensional electron gas systems using large-scale first-principles calculations.

Observation of a low-symmetry phase in Na0.5Bi0.5TiO3crystals by optical birefringence microscopy

2012 ◽  
Vol 45 (3) ◽  
pp. 444-452 ◽  
Author(s):  
S. Gorfman ◽  
A. M. Glazer ◽  
Y. Noguchi ◽  
M. Miyayama ◽  
H. Luo ◽  
...  
Keyword(s):  
Bismuth Titanate ◽  
Domain Walls ◽  
Optical Axis ◽  
Perovskite Oxide ◽  
Tetragonal Symmetry ◽  
Oxide Material ◽  
Optical Birefringence ◽  
First Time ◽  
Mn Doped ◽  
Low Symmetry

Single crystals of sodium bismuth titanate (Na0.5Bi0.5TiO3, NBT) (pure and Mn-doped) have been investigated by means of optical birefringence microscopy. For both crystals, it was found that, above ∼573 K, the optical axis is perfectly aligned with one of the pseudocubic 〈001〉PCdirections, while the domain walls appearing in the images are parallel to the pseudocubic 〈011〉PCdirections. These observations are consistent with a tetragonal symmetry. Below ∼573 K, the observed optical orientation of both crystals shows a broad angular distribution, with no clearly visible crystallographically oriented domain walls. These results are consistent with monoclinic symmetry. Most importantly, the direct observation of the temperature-driven rotation of the optical axis within the monoclinic plane is reported for the first time in a perovskite oxide material, in the present case for Mn-doped NBT. This has consequences for the understanding of phase transitions in technologically relevant compounds, such as PbZr1−xTixO3, which are considered to have monoclinic structure in some parts of the phase diagram.

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