Ag modified LaCoO3 perovskite oxide for photocatalytic application

Science.gov (United States)

Jayapandi, S.; Prakasini, V. Anitha; Anitha, K.

2018-04-01

The present investigation has been carried out to develop a novel photocatalytic material based on lanthanum cobaltite (LaCoO3) and silver (Ag) doped LaCoO3 perovskite oxide. Pure LaCoO3 and 5 Mol% Ag doped LaCoO3 (Ag-LaCoO3) have been synthesized by simple co-precipitation method and characterized by X-ray diffraction (XRD), ultraviolet-visible (UV-Vis) and photoluminescence (PL) techniques and its photocatalytic activity was evaluated by photodegradation of methylene blue under sunlight irradiation. The observed XRD, UV and PL results indicate that Ag influences on the crystallite size and absorption coefficient of LaCoO3 perovskite oxide. The percentage of dye degradations was calculated as 60% and 99 % for LaCoO3 and 5 Mol% Ag-LaCoO3 pervoskite oxides respectively for 10 minutes (10 min) exposure to sunlight, which indicates that 5 mol% of Ag-LaCoO3, has better photodegradation activity. Hence, the present investigation confirms that Ag influences the photocatalytic activity of a material and the observations will be helpful for further developing new photocatalytic materials.

Creating Two-Dimensional Electron Gas in Nonpolar/Nonpolar Oxide Interface via Polarization Discontinuity: First-Principles Analysis of CaZrO3/SrTiO3 Heterostructure.

Science.gov (United States)

Nazir, Safdar; Cheng, Jianli; Yang, Kesong

2016-01-13

We studied strain-induced polarization and resulting conductivity in the nonpolar/nonpolar CaZrO3/SrTiO3 (CZO/STO) heterostructure (HS) system by means of first-principles electronic structure calculations. By modeling four types of CZO/STO HS-based slab systems, i.e., TiO2/CaO and SrO/ZrO2 interface models with CaO and ZrO2 surface terminations in each model separately, we found that the lattice-mismatch-induced compressive strain leads to a strong polarization in the CZO film and that as the CZO film thickness increases there exists an insulator-to-metal transition. The polarization direction and critical thickness of the CZO film for forming interfacial metallic states depend on the surface termination of CZO film in both types of interface models. In the TiO2/CaO and SrO/ZrO2 interface models with CaO surface termination, the strong polarization drives the charge transfer from the CZO film to the first few TiO2 layers in the STO substrate, leading to the formation of two-dimensional electron gas (2DEG) at the interface. In the HS models with ZrO2 surface termination, two polarization domains with opposite directions are in the CZO film, which results in the charge transfer from the middle CZO layer to the interface and surface, respectively, leading to the coexistence of the 2DEG on the interface and the two-dimensional hole gas (2DHG) at the middle CZO layer. These findings open a new avenue to achieve 2DEG (2DHG) in perovskite-based HS systems via polarization discontinuity.

Synthesis and structural studies on cerium substituted La0.4Ca0.6MnO3 as solid oxide fuel cell electrode material

Science.gov (United States)

Singh, Monika; Kumar, Dinesh; Singh, Akhilesh Kumar

2018-04-01

For solid oxide fuel cell electrode material, calcium doped lanthanum manganite La0.4Ca0.6MnO3 (LCMO) and cerium-incorporated on Ca-site with composition La0.40Ca0.55Ce0.05MnO3 (LCCMO) were synthesized using most feasible and efficient glycine-nitrate method. The formation of crystalline single phase was confirmed by x-ray diffraction (XRD). The Rietveld analysis reveals that both systems crystallize into orthorhombic crystal structure with Pnma space group. Additionally, 8 mole % Y2O3 stabilized ZrO2 (8YSZ) solid electrolyte was also synthesized using high energy ball mill to check the reaction with electrode materials. It was found that the substitution of Ce+4 cations in LCMO perovskite suppressed formation of undesired insulating CaZrO3 phase.

New lithium-ion conducting perovskite oxides related to (Li, La)TiO3

Indian Academy of Sciences (India)

Unknown

We describe the synthesis and lithium-ion conductivity of new perovskite-related oxides ... work on lithium-ion conducting perovskite oxides containing d0 cations. Keywords. ..... On the other hand, Nb/Ta compounds show a higher conductivity.

Partial oxidation of 2-propanol on perovskites

Energy Technology Data Exchange (ETDEWEB)

Sumathi, R.; Viswanathan, B.; Varadarajan, T.K. [Indian Inst. of Tech., Madras (India). Dept. of Chemistry

1998-12-31

Partial oxidation of 2-propanol was carried out on AB{sub 1-x}B`{sub x}O{sub 3} (A=Ba, B=Pb, Ce, Ti; B`=Bi, Sb and Cu) type perovskite oxides. Acetone was the major product observed on all the catalysts. All the catalysts underwent partial reduction during the reaction depending on the composition of the reactant, nature of the B site cation and the extent of substitution at B site. The catalytic activity has been correlated with the reducibility of the perovskite oxides determined from Temperature Programmed Reduction (TPR) studies. (orig.)

Self-propagating high-temperature synthesis of Sr-doped LaMnO3 perovskite as oxidation catalyst

International Nuclear Information System (INIS)

Hirano, T.; Purwanto, H.; Watanabe, T.; Akiyama, T.

2007-01-01

Sr-doped LaMnO 3 perovskite oxide has been focused on as one of the alternative catalysts to precious metals such as platinum that are used for cleaning automotive emission gas. The conventional Solid-state reaction method is a popular productive process for perovskite oxide, however, it is time and energy consuming process because it requires repeated prolonged heat treatment at high temperatures. Therefore, the purposes of this work are to produce Sr-doped LaMnO 3 perovskite by using Self-propagating high-temperature synthesis (SHS) and experimentally examine the oxidation catalytic activity of the product for cleaning automotive emission gas. In the SHS, powders of La 2 O 3 , SrCO 3 , Mn and NaClO 4 were well mixed at the desired ratio and poured in a graphite crucible, where at one end it was ignited by using an electrically heated carbon foil. The wave of exothermic reaction due to oxidation of manganese propagated to the other end in a short time. The obtained products were characterized by means of XRD, FE-SEM, BET and particle size distribution analysis and then evaluated via catalytic oxidation tests by using propane in a fixed bed reactor at several temperatures. From the XRD analysis, the products had the desired composition of La 1-x Sr x MnO 3 (x = 0, 0.1, 0.2 and 0.4) perovskite, in which the replacing ratio x of La and Sr in the products was easily controlled by changing the mixing ratio of raw materials. The catalytic activity test showed that the samples exhibited good catalytic activity for propane oxidation over 200 deg. C , although the products had a relatively small surface area. SHS showed the potential for the production of a relatively inexpensive catalytic converter

Structural and Quantitative Investigation of Perovskite Pore Filling in Mesoporous Metal Oxides

Directory of Open Access Journals (Sweden)

Shany Gamliel

2016-11-01

Full Text Available In recent years, hybrid organic–inorganic perovskite light absorbers have attracted much attention in the field of solar cells due to their optoelectronic characteristics that enable high power conversion efficiencies. Perovskite-based solar cells’ efficiency has increased dramatically from 3.8% to more than 20% in just a few years, making them a promising low-cost alternative for photovoltaic applications. The deposition of perovskite into a mesoporous metal oxide is an influential factor affecting solar cell performance. Full coverage and pore filling into the porous metal oxide are important issues in the fabrication of highly-efficient mesoporous perovskite solar cells. In this work, we carry out a structural and quantitative investigation of CH3NH3PbI3 pore filling deposited via sequential two-step deposition into two different mesoporous metal oxides—TiO2 and Al2O3. We avoid using a hole conductor in the perovskite solar cells studied in this work to eliminate undesirable end results. Filling oxide pores with perovskite was characterized by Energy Dispersive X-ray Spectroscopy (EDS in Transmission Electron Microscopy (TEM on cross-sectional focused ion beam (FIB lamellae. Complete pore filling of CH3NH3PbI3 perovskite into the metal oxide pores was observed down to X-depth, showing the presence of Pb and I inside the pores. The observations reported in this work are particularly important for mesoporous Al2O3 perovskite solar cells, as pore filling is essential for the operation of this solar cell structure. This work presents structural and quantitative proof of complete pore filling into mesoporous perovskite-based solar cells, substantiating their high power conversion efficiency.

Electronically conductive perovskite-based oxide nanoparticles and films for optical sensing applications

Science.gov (United States)

Ohodnicki, Jr., Paul R; Schultz, Andrew M

2015-04-28

The disclosure relates to a method of detecting a change in a chemical composition by contacting a electronically conducting perovskite-based metal oxide material with a monitored stream, illuminating the electronically conducting perovskite-based metal oxide with incident light, collecting exiting light, monitoring an optical signal based on a comparison of the incident light and the exiting light, and detecting a shift in the optical signal. The electronically conducting perovskite-based metal oxide has a perovskite-based crystal structure and an electronic conductivity of at least 10.sup.-1 S/cm, where parameters are specified at the gas stream temperature. The electronically conducting perovskite-based metal oxide has an empirical formula A.sub.xB.sub.yO.sub.3-.delta., where A is at least a first element at the A-site, B is at least a second element at the B-site, and where 0.8perovskite-based oxides include but are not limited to La.sub.1-xSr.sub.xCoO.sub.3, La.sub.1-xSr.sub.xMnO.sub.3, LaCrO.sub.3, LaNiO.sub.3, La.sub.1-xSr.sub.xMn.sub.1-yCr.sub.yO.sub.3, SrFeO.sub.3, SrVO.sub.3, La-doped SrTiO.sub.3, Nb-doped SrTiO.sub.3, and SrTiO.sub.3-.delta..

Strong excitonic interactions in the oxygen K-edge of perovskite oxides

Energy Technology Data Exchange (ETDEWEB)

Tomita, Kota; Miyata, Tomohiro [Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro, Tokyo 153-8505 (Japan); Olovsson, Weine [Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping (Sweden); Mizoguchi, Teruyasu, E-mail: teru@iis.u-tokyo.ac.jp [Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro, Tokyo 153-8505 (Japan)

2017-07-15

Excitonic interactions of the oxygen K-edge electron energy-loss near-edge structure (ELNES) of perovskite oxides, CaTiO{sub 3}, SrTiO{sub 3}, and BaTiO{sub 3}, together with reference oxides, MgO, CaO, SrO, BaO, and TiO{sub 2}, were investigated using a first-principles Bethe–Salpeter equation calculation. Although the transition energy of oxygen K-edge is high, strong excitonic interactions were present in the oxygen K-edge ELNES of the perovskite oxides, whereas the excitonic interactions were negligible in the oxygen K-edge ELNES of the reference compounds. Detailed investigation of the electronic structure suggests that the strong excitonic interaction in the oxygen K-edge ELNES of the perovskite oxides is caused by the directionally confined, low-dimensional electronic structure at the Ti–O–Ti bonds. - Highlights: • Excitonic interaction in oxygen-K edge is investigated. • Strong excitonic interaction is found in the oxygen-K edge of perovskite oxides. • The strong excitonic interaction is ascribed to the low-dimensional and confined electronic structure.

Hierarchically porous LaFeO3 perovskite prepared from the pomelo peel bio-template for catalytic oxidation of NO

Science.gov (United States)

Zhao, Shaojun; Wang, Li; Wang, Ying; Li, Xing

2018-05-01

In this paper, pomelo peel was used as biological template to obtain hierarchically porous LaFeO3 perovskite for the catalytic oxidation of NO to NO2. In addition, X-ray diffraction (XRD), scanning electron microscopy (SEM), N2 adsorption-desorption analyses, X-ray photoelectron spectra (XPS), NO temperature-programmed desorption (NO-TPD), oxygen temperature-programmed desorption (O2-TPD) and hydrogen temperature-programmed reduction (H2-TPR) were used to investigate the micro-structure and the redox properties of the hierarchically porous LaFeO3 perovskite prepared from pomelo peel biological template and the LaFeO3 perovskite without the biological template. The results indicated that the hierarchically porous LaFeO3 perovskite successfully replicated the porous structure of pomelo peel with high specific surface area. Compared to the LaFeO3 perovskite prepared without the pomelo peel template, the hierarchically porous LaFeO3 perovskite showed better catalytic oxidization of NO to NO2 under the same conditions. The maximum NO conversions for LaFeO3 prepared with and without template were 90% at 305 °C and 76% at 313 °C, respectively. This is mainly attributed to the higher ratio of Fe4+/Fe3+, the hierarchically porous structure with more adsorbed oxygen species and higher surface area for the hierarchically porous LaFeO3 perovskite compared with the sample prepared without the pomelo peel template.

Self-propagating high-temperature synthesis of LaMO{sub 3} perovskite-type oxide using heteronuclearcyano metal complex precursors

Energy Technology Data Exchange (ETDEWEB)

Sánchez-Rodríguez, Daniel, E-mail: daniel.sanchez@udg.edu [GRMT, Department of Physics, University of Girona, Campus Montilivi, Edif.PII, E17071 Girona, Catalonia (Spain); Wada, Hiroki; Yamaguchi, Syuhei [Department of Materials Science and Biotechnology, Graduate School of Science and Engineering, Ehime University, Matsuyama 790-8577 (Japan); Farjas, Jordi [GRMT, Department of Physics, University of Girona, Campus Montilivi, Edif.PII, E17071 Girona, Catalonia (Spain); Yahiro, Hidenori, E-mail: yahiro.hidenori.me@ehime-u.ac.jp [Department of Materials Science and Biotechnology, Graduate School of Science and Engineering, Ehime University, Matsuyama 790-8577 (Japan)

2015-11-15

The decomposition of La[Fe(CN){sub 6}]·5H{sub 2}O and La[Co(CN){sub 6}]·5H{sub 2}O under different atmospheres has been analyzed by thermogravimetry (TG) and differential thermal analysis (DTA). In addition, the decomposition temperature at different sample locations was monitored for sample masses around 2 g of La[Fe(CN){sub 6}]·5H{sub 2}O and La[Co(CN){sub 6}]·5H{sub 2}O, when they were calcined for 1 h at temperatures ranging from 200 to 400 °C in a controlled gas-flow system. Results showed that, the large enough of the cyano complex precursors undergo combustion when they are decomposed under oxygen atmosphere. X-ray diffraction results revealed that perovskite-type oxides crystallize due to the overheating of the process. As a result, it has been possible to produce LaFeO{sub 3} and LaCoO{sub 3} perovskite-type oxide powders by SHS under oxygen atmosphere using La[Fe(CN){sub 6}]·5H{sub 2}O and La[Co(CN){sub 6}]·5H{sub 2}O as a precursor. The effect of the ignition temperature has been investigated. The specific surface area of the perovskite-type oxides produced via SHS using heteronuclearcyano metal complex as a precursor is significantly higher than that of other LaMO{sub 3} produced using the same technique but obtained from other type of precursors. - Highlights: • The decomposition of La[Fe(CN){sub 6}] and La[Co(CN){sub 6}] precursors was analyzed. • The combustion process proceeded under oxygen when sample was large enough. • Perovskite oxides via SHS from the cyano complex precursors were synthesized. • LaMO{sub 3} perovskite oxides via SHS was obtained with high specific surface area.

Perovskite catalysts for oxidative coupling

Science.gov (United States)

Campbell, Kenneth D.

1991-01-01

Perovskites of the structure A.sub.2 B.sub.2 C.sub.3 O.sub.10 are useful as catalysts for the oxidative coupling of lower alkane to heavier hydrocarbons. A is alkali metal; B is lanthanide or lanthanum, cerium, neodymium, samarium, praseodymium, gadolinium or dysprosium; and C is titanium.

Strong excitonic interactions in the oxygen K-edge of perovskite oxides.

Science.gov (United States)

Tomita, Kota; Miyata, Tomohiro; Olovsson, Weine; Mizoguchi, Teruyasu

2017-07-01

Excitonic interactions of the oxygen K-edge electron energy-loss near-edge structure (ELNES) of perovskite oxides, CaTiO 3 , SrTiO 3 , and BaTiO 3 , together with reference oxides, MgO, CaO, SrO, BaO, and TiO 2 , were investigated using a first-principles Bethe-Salpeter equation calculation. Although the transition energy of oxygen K-edge is high, strong excitonic interactions were present in the oxygen K-edge ELNES of the perovskite oxides, whereas the excitonic interactions were negligible in the oxygen K-edge ELNES of the reference compounds. Detailed investigation of the electronic structure suggests that the strong excitonic interaction in the oxygen K-edge ELNES of the perovskite oxides is caused by the directionally confined, low-dimensional electronic structure at the Ti-O-Ti bonds. Copyright © 2016 Elsevier B.V. All rights reserved.

O3 perovskite ceramic

Indian Academy of Sciences (India)

The prepared sample remains as double phases with the perovskite struc- ture. The structure ... Ferroelectric oxides with perovskite structure are the subject of many investigations. ... in optical devices and heterojunction solar cells. 1765 ...

Perovskite Catalysts—A Special Issue on Versatile Oxide Catalysts

Directory of Open Access Journals (Sweden)

Yu-Chuan Lin

2014-08-01

Full Text Available Perovskite-type catalysts have been prominent oxide catalysts for many years due to attributes such as flexibility in choosing cations, significant thermal stability, and the unique nature of lattice oxygen. Nearly 90% metallic elements of the Periodic Table can be stabilized in perovskite’s crystalline framework [1]. Moreover, by following the Goldschmidt rule [2], the A- and/or B-site elements can be partially substituted, making perovskites extremely flexible in catalyst design. One successful example is the commercialization of noble metal-incorporated perovskites (e.g., LaFe0.57Co0.38Pd0.05O3 for automotive emission control used by Daihatsu Motor Co. Ltd. [3]. Thus, growing interest in, and application of perovskites in the fields of material sciences, heterogeneous catalysis, and energy storage have prompted this Special Issue on perovskite catalysts. [...

Electrochemical hydrogen property improved in nano-structured perovskite oxide LaFeO3 for Ni/MH battery

Science.gov (United States)

Wang, Qiang; Deng, Gang; Chen, Zhiqian; Chen, Yungui; Cheng, Nanpu

2013-02-01

Perovskite oxide LaFeO3, as a novel candidate for the electrode of Ni/MH battery, holds high specific capacity and good cyclical durability at elevated temperatures. However, the poor electrochemical kinetics is a bottleneck for the application of this type of material. By use of nano-structured materials, there are greatly enhanced values of exchange current density I0 and hydrogen diffusion coefficient D, which resulted in an improvement of electrochemical kinetics, a much higher specific capacity and excellent stability during cycling for nano-structured LaFeO3. In theory, there is a significant possibility of further advancing the hydrogen reaction kinetics of perovskite type oxides for Ni/MH battery.

Chemical vapor deposition and electric characterization of perovskite oxides LaMO3 (M=Co, Fe, Cr and Mn) thin films

International Nuclear Information System (INIS)

Ngamou, Patrick Herve Tchoua; Bahlawane, Naoufal

2009-01-01

Oxides with a perovskite structure are important functional materials often used for the development of modern devices. In view of extending their applicability, it is necessary to efficiently control their growth as thin films using technologically relevant synthesis methods. Pulsed spray evaporation CVD was used to grow several perovskite-type oxides on planar silicon substrates at temperatures ranging from 500 to 700 deg. C. The optimization of the process control parameters allows the attainment of the perovskite structure as a single phase. The electrical characterization using the temperature-dependent conductivity and thermopower indicates the p-type conduction of the grown films and shows a decreasing concentration of the charge carrier, mobility and band gap energy in the sequence LaCoO 3 >LaMnO 3 >LaCrO 3 >LaFeO 3 . The investigation of the electric properties of the obtained perovskite thin films shows the versatility of CVD as a method for the development of innovative devices. - Graphical abstract: We report a single step deposition of perovskite thin films LaMO 3 (M: Co, Mn, Cr, Fe) using pulsed spray evaporation chemical vapor deposition. Electrical and thermopower properties, similar to these of bulk materials, could promote the development of modern thermoelectric devices based on thin films technology.

Temperature-independent sensors based on perovskite-type oxides

International Nuclear Information System (INIS)

Zaza, F.; Frangini, S.; Masci, A.; Leoncini, J.; Pasquali, M.; Luisetto, I.; Tuti, S.

2013-01-01

The need of energy security and environment sustainability drives toward the development of energy technology in order to enhance the performance of internal combustion engines. Gas sensors play a key role for controlling the fuel oxygen ratio and monitoring the pollution emissions. The perovskite-type oxides can be synthesized for an extremely wide variety of combinations of chemical elements, allowing to design materials with suitable properties for sensing application. Lanthanum strontium ferrites, such as La 0.7 Sr 0.3 FeO 3 , are suitable oxygen sensing materials with temperature-independence conductivity, but they have low chemical stability under reducing conditions. The addition of aluminum into the perovskite structure improves the material properties in order to develop suitable oxygen sensing probes for lean burn engine control systems. Perovskite-type oxides with formula (La 0.7 Sr 0.3 )(Al x Fe 1−x )O 3 was synthesized by the citrate-nitrate combustion synthesis method. XRD analyses, show that it was synthesized a phase-pure powder belonging to the perovskite structure. Aluminum affects both the unit cell parameters, by shrinking the unit cell, and the powder morphology, by promoting the synthesis of particles with small crystallite size and large specific surface area. The partial substitution of iron with aluminum improves the chemical stability under reducing gas conditions and modulates the oxygen sensitivity by affecting the relative amount of Fe 4+ and Fe 3+ , as confirmed from TPR profiles. In the same time, the addition of aluminum does not affects the temperature-independent properties of lanthanum strontium ferrites. Indeed, the electrical measurements show that (La 0.7 Sr 0.3 )(Al x Fe 1−x )O 3 perovskites have temperature-independence conductivity from 900 K

Temperature-independent sensors based on perovskite-type oxides

Energy Technology Data Exchange (ETDEWEB)

Zaza, F.; Frangini, S.; Masci, A. [ENEA-Casaccia R.C., Via Anguillarese 301, 00123 S.Maria di Galeria, Rome (Italy); Leoncini, J.; Pasquali, M. [University La Sapienza, Piazza Via del Castro Laurenziano 7, 00161 Rome (Italy); Luisetto, I.; Tuti, S. [University RomaTre, Rome 00146 (Italy)

2014-06-19

The need of energy security and environment sustainability drives toward the development of energy technology in order to enhance the performance of internal combustion engines. Gas sensors play a key role for controlling the fuel oxygen ratio and monitoring the pollution emissions. The perovskite-type oxides can be synthesized for an extremely wide variety of combinations of chemical elements, allowing to design materials with suitable properties for sensing application. Lanthanum strontium ferrites, such as La{sub 0.7}Sr{sub 0.3}FeO{sub 3}, are suitable oxygen sensing materials with temperature-independence conductivity, but they have low chemical stability under reducing conditions. The addition of aluminum into the perovskite structure improves the material properties in order to develop suitable oxygen sensing probes for lean burn engine control systems. Perovskite-type oxides with formula (La{sub 0.7}Sr{sub 0.3})(Al{sub x}Fe{sub 1−x})O{sub 3} was synthesized by the citrate-nitrate combustion synthesis method. XRD analyses, show that it was synthesized a phase-pure powder belonging to the perovskite structure. Aluminum affects both the unit cell parameters, by shrinking the unit cell, and the powder morphology, by promoting the synthesis of particles with small crystallite size and large specific surface area. The partial substitution of iron with aluminum improves the chemical stability under reducing gas conditions and modulates the oxygen sensitivity by affecting the relative amount of Fe{sup 4+} and Fe{sup 3+}, as confirmed from TPR profiles. In the same time, the addition of aluminum does not affects the temperature-independent properties of lanthanum strontium ferrites. Indeed, the electrical measurements show that (La{sub 0.7}Sr{sub 0.3})(Al{sub x}Fe{sub 1−x})O{sub 3} perovskites have temperature-independence conductivity from 900 K.

Ab initio Defect Energetics in LaBO3 Perovskite Solid Oxide Fuel Cell Materials

DEFF Research Database (Denmark)

Lee, Yueh-Lin; Morgan, Dane; Kleis, Jesper

2009-01-01

Perovskite materials of the form ABO3 are a promising family of compounds for use in solid oxide fuel cell (SOFC) cathodes. Study of the physics of these compounds under SOFC conditions with ab initio methods is particularly challenging due to high temperatures, exchange of oxygen with O2 gas...

Characterization and carbon monoxide oxidation activity of La1-ySryCr1-xRuxO3 perovskites

Directory of Open Access Journals (Sweden)

C. MARINOVA

2000-01-01

Full Text Available The oxidation of CO over La1-ySryCr1-xRuxO3 perovskite type oxides with y=0.3 and 0 £ x £ 0.100 have been studied. X-ray fluorescence analysis confirmed that content of elements in the bulk corresponds to the established nominal perovskite stoichiometry, indicating that no significant oxidation of ruthenium into volatile polyvalent oxides with their consequented escape from the sample occurred in air up to the temperature of 1000°C. According to X-ray diffraction analysis, all sampls achieved the perovskite hexagonal with the presence of some SrCrO4. X-ray photoelectron spectroscopy analysis of ruthenium samples shows higher Ru and Sr surface concentraitions than in the bulk. The binding energy for Ru3p is virtually the same in all samples and consistent with that of Ru4+ (463.6-464.3eV. Kinetic studies were performed in a differential recycle reactor with a recycling ratio 80. The results show that substitution of Ru4+ for Cr3+ in La1-ySryCrO3 leads to a significant increase in both the activity and the activation energy. The global CO oxidation rate, referred on the BET surface area, correlates with the surface Ru4+ atomic concentraiton. Hence, the activity reflect the surface enrichment in ruthenium. Moreover, an identical apparent activation energy E = 93 kJ/mol and the same specific rate per ruthenium surface ion were obtained for samples with a Ru content x ³ 0.05 suggest that exposed Ru4+ ions mainly participate in the reaction.

Activity and stability trends of perovskite oxides for oxygen evolution catalysis at neutral pH

OpenAIRE

Ling, Chen; Jia, Hongfei; Han, Binghong; Risch, Marcel; Lee, Yueh Lin; Shao-Horn, Yang

2015-01-01

Perovskite oxides (ABO[subscript 3]) have been studied extensively to promote the kinetics of the oxygen evolution reaction (OER) in alkaline electrolytes. However, developing highly active catalysts for OER at near-neutral pH is desirable for many photoelectrochemical/electrochemical devices. In this paper, we systematically studied the activity and stability of well-known perovskite oxides for OER at pH 7. Previous activity descriptors established for perovskite oxides at pH 13, such as hav...

Factors controlling the oxide ion conductivity of fluorite and perovskite structured oxides

DEFF Research Database (Denmark)

Mogensen, Mogens Bjerg; Lybye, D.; Bonanos, N.

2004-01-01

Many metal oxides of fluorite and perovskite related structures are oxide ion conductors, which have practical applications in devices such as oxygen sensors, solid oxide fuel cells (SOFC) and electrolysers. Several structural and thermodynamic parameters such as (1) critical radius of the pathway...... such parameters for fluorite and perovskite oxides by considering their sensitivities to the individual ionic radii. Based on experimental data available in the literature, it is argued that lattice distortion (lattice stress and deviation from cubic symmetry) due to ion radii mismatch determines the ionic...... conductivity to a very large extent, and that lattice distortion is of much greater importance than many other proposed parameters. In case of the perovskites, the charge of the B-site ion is also of major importance. (C) 2004 Published by Elsevier B.V....

Nickel oxide electrode interlayer in CH3 NH3 PbI3 perovskite/PCBM planar-heterojunction hybrid solar cells.

Science.gov (United States)

Jeng, Jun-Yuan; Chen, Kuo-Cheng; Chiang, Tsung-Yu; Lin, Pei-Ying; Tsai, Tzung-Da; Chang, Yun-Chorng; Guo, Tzung-Fang; Chen, Peter; Wen, Ten-Chin; Hsu, Yao-Jane

2014-06-25

This study successfully demonstrates the application of inorganic p-type nickel oxide (NiOx ) as electrode interlayer for the fabrication of NiOx /CH3 NH3 PbI3 perovskite/PCBM PHJ hybrid solar cells with a respectable solar-to-electrical PCE of 7.8%. The better energy level alignment and improved wetting of the NiOx electrode interlayer significantly enhance the overall photovoltaic performance. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modeling of thermal expansion coefficient of perovskite oxide for solid oxide fuel cell cathode

Science.gov (United States)

Heydari, F.; Maghsoudipour, A.; Alizadeh, M.; Khakpour, Z.; Javaheri, M.

2015-09-01

Artificial intelligence models have the capacity to eliminate the need for expensive experimental investigation in various areas of manufacturing processes, including the material science. This study investigates the applicability of adaptive neuro-fuzzy inference system (ANFIS) approach for modeling the performance parameters of thermal expansion coefficient (TEC) of perovskite oxide for solid oxide fuel cell cathode. Oxides (Ln = La, Nd, Sm and M = Fe, Ni, Mn) have been prepared and characterized to study the influence of the different cations on TEC. Experimental results have shown TEC decreases favorably with substitution of Nd3+ and Mn3+ ions in the lattice. Structural parameters of compounds have been determined by X-ray diffraction, and field emission scanning electron microscopy has been used for the morphological study. Comparison results indicated that the ANFIS technique could be employed successfully in modeling thermal expansion coefficient of perovskite oxide for solid oxide fuel cell cathode, and considerable savings in terms of cost and time could be obtained by using ANFIS technique.

Post-perovskite transitions in CaB4+O3 at high pressure

International Nuclear Information System (INIS)

Akaogi, M; Shirako, Y; Kojitani, H; Takamori, S; Yamaura, K; Takayama-Muromachi, E

2010-01-01

High-pressure phase transitions in CaRhO 3 were examined using a multianvil apparatus up to 27 GPa and 1930 o C. CaRhO 3 perovskite transforms to post-perovskite via a monoclinic intermediate phase with increasing pressure. Volume changes for the transitions of perovskite - intermediate phase and of intermediate phase - post-perovskite are -1.1 and -0.7 %, respectively. CaRhO 3 post-perovskite is the fourth quenchable post-perovskite oxide found so far. By high-temperature calorimetric experiments, enthalpy of the perovskite - post-perovskite transition in CaRuO 3 was measured as 15.2±3.3 kJ/mol. Combining the datum with those of CaIrO 3 , it is shown that CaIrO 3 perovskite is energetically less stable than CaRuO 3 perovskite. This is consistent with the fact that orthorhombic distortion of CaIrO 3 perovskite is larger than CaRuO 3 , as indicated with the tilt-angle of octahedral framework of perovskite structure. The transition pressure from perovskite to post-perovskite in CaBO 3 (B = Ru, Rh, Ir) increases almost linearly with decreasing the tilt-angle, suggesting that the perovskite - post-perovskite transition may result from instability of the perovskite structure with pressure.

Oxide perovskites with tetravalent dysprosium and compounds of the type Ba/sub 3/RE/sub 4/O/sub 9/ (RE = Rare Earth Element)

Energy Technology Data Exchange (ETDEWEB)

Brauer, G; Kristen, H [Freiburg Univ. (Germany, F.R.)

1980-03-01

In analogy to our investigations concerning tetravalent Nd in oxide perovskites, we also tried to stabilize dysprosium(IV) by incorporation in host-lattices with the perovskite structure. As host-lattices we used BaCeO/sub 3/, BaTbO/sub 3/, and SrTbO/sub 3/. Only in Ba(Ce, Dy)O/sub 3/ we could trace Dy(IV) with certainty. Among the prepared mixed oxides, also the phase Ba/sub 3/Dy/sub 4/O/sub 9/ occured. The lattice parameters of several phases of this latter type were redetermined.

Magnetic properties of rare earth oxides with perovskite structure

International Nuclear Information System (INIS)

Hinatsu, Yukio

2008-01-01

A perovskite composite oxide is represented by the general formula of ABO 3 . Cations at the B site characterize magnetic properties of the oxide. Many studies have been accumulated for transition metal elements at the B sites. In this report the studies of rare earth elements at the B sites are reviewed. In rare elements, tetravalent ions such as Ce 4+ , Pr 4+ and Tb 4+ can occupy the B sites with Ba and Sr ions at the A sites. Both the SrTbO 3 and BaTbO 3 have an orthorhombic structure and show the antiferromagnetic transition at about 33 K, which is originated from terbium ions coupled antiferromagnetically with the six neighboring terbium ions. A tetravalent praseodymium perovskite SrPrO 3 shows no existence of the magnetic ordering down to 2.0 K. This is in contrast to the result of isomorphous BaPrO 3 , which shows an antiferromagnetic transition at 11.5 K. A double perovskite structure is represented by the formula A 2 LnMO 6 (A=Ba, Sr, Ca; M=Ru, Ir). In a double perovskite compound Ba 2 PrRuO 6 , the Pr 3+ and Ru 5+ ions are arranged with regularity over the six-coordinate B sites. This compound transforms to an antiferromagnetic state below 117 K. Antiferromagnetic transition temperatures T N for isomorphous Sr and Ca show a clear tendency, T N (A=Ba)>T N (Sr)>T N (Ca), in the compounds with the same rare earth elements (Ln). The 6H-perovskite structure Ba 3 LnRu 2 O 9 consists of linkages between LnO 6 octahedra and Ru 2 O 9 dimers made from face-shared RuO 6 octahedra. The 6H-perovskite structure Ba 3 MRu 2 O 9 (M=Sc, Y, La, Nd-Gd, Dy-Lu) have the valence state of Ba 3 M 3+ Ru 2 4.5+ O 9 . The magnetic susceptibilities show a broad maximum at 135-370 K. This magnetic behavior is ascribed to the antiferromagnetic coupling between two Ru ions in a Ru 2 O 9 dimer and to the magnetic interaction between the Ru 2 O 9 dimers. (author)

Resistance switching memory in perovskite oxides

International Nuclear Information System (INIS)

Yan, Z.B.; Liu, J.-M.

2015-01-01

The resistance switching behavior has recently attracted great attentions for its application as resistive random access memories (RRAMs) due to a variety of advantages such as simple structure, high-density, high-speed and low-power. As a leading storage media, the transition metal perovskite oxide owns the strong correlation of electrons and the stable crystal structure, which brings out multifunctionality such as ferroelectric, multiferroic, superconductor, and colossal magnetoresistance/electroresistance effect, etc. The existence of rich electronic phases, metal–insulator transition and the nonstoichiometric oxygen in perovskite oxide provides good platforms to insight into the resistive switching mechanisms. In this review, we first introduce the general characteristics of the resistance switching effects, the operation methods and the storage media. Then, the experimental evidences of conductive filaments, the transport and switching mechanisms, and the memory performances and enhancing methods of perovskite oxide based filamentary RRAM cells have been summarized and discussed. Subsequently, the switching mechanisms and the performances of the uniform RRAM cells associating with the carrier trapping/detrapping and the ferroelectric polarization switching have been discussed. Finally, the advices and outlook for further investigating the resistance switching and enhancing the memory performances are given

Comparison of different advanced oxidation processes (AOPs) in the presence of perovskites

International Nuclear Information System (INIS)

Rivas, F.J.; Carbajo, M.; Beltran, F.; Gimeno, O.; Frades, J.

2008-01-01

The efficacy of the oxidation systems: O 3 , UV radiation, O 3 /UV radiation, O 3 /perovskite, UV radiation/perovskite, O 3 /UV radiation/perovskite, H 2 O 2 /UV radiation, H 2 O 2 /UV radiation/perovskite, has been investigated by using pyruvic acid as probe compound. Under the operating conditions used, the combination of UV radiation and hydrogen peroxide (with or without perovskites) leads to the fastest pyruvic acid removal while the best results in terms of mineralization degree are obtained when combining O 3 /UV radiation/perovskite. The effect of the variables: inlet ozone (15-75 mg L -1 ) and initial pyruvic acid (10 -3 to 10 -2 M) concentrations, catalyst load (0.01-1.5 g L -1 ) and pH (2-9) was investigated for the photocatalytic ozonation. The most influencing parameter was the ozone concentration fed to the photoreactor. A zero order was observed for pyruvic acid concentration and close to zero for catalyst load. Some deactivation is observed after reusing the catalyst, likely due to leaching of the active phase

Atomic layer deposition of perovskite oxides and their epitaxial integration with Si, Ge, and other semiconductors

Energy Technology Data Exchange (ETDEWEB)

McDaniel, Martin D.; Ngo, Thong Q.; Hu, Shen; Ekerdt, John G., E-mail: ekerdt@utexas.edu [Department of Chemical Engineering, The University of Texas at Austin, Austin, Texas 78712 (United States); Posadas, Agham; Demkov, Alexander A. [Department of Physics, The University of Texas at Austin, Austin, Texas 78712 (United States)

2015-12-15

Atomic layer deposition (ALD) is a proven technique for the conformal deposition of oxide thin films with nanoscale thickness control. Most successful industrial applications have been with binary oxides, such as Al{sub 2}O{sub 3} and HfO{sub 2}. However, there has been much effort to deposit ternary oxides, such as perovskites (ABO{sub 3}), with desirable properties for advanced thin film applications. Distinct challenges are presented by the deposition of multi-component oxides using ALD. This review is intended to highlight the research of the many groups that have deposited perovskite oxides by ALD methods. Several commonalities between the studies are discussed. Special emphasis is put on precursor selection, deposition temperatures, and specific property performance (high-k, ferroelectric, ferromagnetic, etc.). Finally, the monolithic integration of perovskite oxides with semiconductors by ALD is reviewed. High-quality epitaxial growth of oxide thin films has traditionally been limited to physical vapor deposition techniques (e.g., molecular beam epitaxy). However, recent studies have demonstrated that epitaxial oxide thin films may be deposited on semiconductor substrates using ALD. This presents an exciting opportunity to integrate functional perovskite oxides for advanced semiconductor applications in a process that is economical and scalable.

Atomic layer deposition of perovskite oxides and their epitaxial integration with Si, Ge, and other semiconductors

International Nuclear Information System (INIS)

McDaniel, Martin D.; Ngo, Thong Q.; Hu, Shen; Ekerdt, John G.; Posadas, Agham; Demkov, Alexander A.

2015-01-01

Atomic layer deposition (ALD) is a proven technique for the conformal deposition of oxide thin films with nanoscale thickness control. Most successful industrial applications have been with binary oxides, such as Al 2 O 3 and HfO 2 . However, there has been much effort to deposit ternary oxides, such as perovskites (ABO 3 ), with desirable properties for advanced thin film applications. Distinct challenges are presented by the deposition of multi-component oxides using ALD. This review is intended to highlight the research of the many groups that have deposited perovskite oxides by ALD methods. Several commonalities between the studies are discussed. Special emphasis is put on precursor selection, deposition temperatures, and specific property performance (high-k, ferroelectric, ferromagnetic, etc.). Finally, the monolithic integration of perovskite oxides with semiconductors by ALD is reviewed. High-quality epitaxial growth of oxide thin films has traditionally been limited to physical vapor deposition techniques (e.g., molecular beam epitaxy). However, recent studies have demonstrated that epitaxial oxide thin films may be deposited on semiconductor substrates using ALD. This presents an exciting opportunity to integrate functional perovskite oxides for advanced semiconductor applications in a process that is economical and scalable

Sono-photo-Fenton oxidation of bisphenol-A over a LaFeO3 perovskite catalyst.

Science.gov (United States)

Dükkancı, Meral

2018-01-01

In this study, oxidation of bisphenol-A (IUPAC name - 2,2-(4,4-dihydroxyphenyl, BPA), which is an endocrine disrupting phenolic compound used in the polycarbonate plastic and epoxy resin industry, was investigated using sono-photo-Fenton process under visible light irradiation in the presence of an iron containing perovskite catalyst, LaFeO 3 . The catalyst prepared by sol-gel method, calcined at 500°C showed a catalytic activity in BPA oxidation using sono-photo-Fenton process with a degradation degree and a chemical oxygen demand (COD) reduction of 21.8% and 11.2%, respectively. Degradation of BPA was studied by using individual and combined advanced oxidation techniques including sonication, heterogeneous Fenton reaction and photo oxidation over this catalyst to understand the effect of each process on degradation of BPA. It was seen, the role of sonication was very important in hybrid sono-photo-Fenton process due to the pyrolysis and sonoluminescence effects caused by ultrasonic irradiation. The prepared LaFeO 3 perovskite catalyst was a good sonocatalyst rather than a photocatalyst. Sonication was not only the effective process to degrade BPA but also it was the cost effective process in terms of energy consumption. The studies show that the energy consumption is lower in the sono-Fenton process than those in the photo-Fenton and sono-photo- Fenton processes. Copyright © 2017 Elsevier B.V. All rights reserved.

Study of total oxidation of ethanol using the perovskite-type oxides LaBO{sub 3} (B= Mn, Ni, Fe); Estudo da oxidacao total do etanol usando oxidos tipo perovskita LaBO{sub 3} (B= Mn, Ni, Fe)

Energy Technology Data Exchange (ETDEWEB)

Soares, Ana Brigida [Centro Federal de Educacao Tecnologica do Espirito Santo, Vitoria, ES (Brazil). Centro de Ciencias e Tecnologias Quimicas]. E-mail: brigida@cefetes.br; Silva, Paulo Roberto Nagipe da [Universidade Estadual do Norte Fluminense (UENF), Campos dos Goytacases, RJ (Brazil). Centro de Ciencias e Tecnologia; Freitas, Jair C.C. [Universidade Federal do Espirito Santo, Vitoria, ES (Brazil). Centro de Ciencias Exatas. Dept. de Fisica; Almeida, Clara Muniz de [Pontificia Univ. Catolica do Rio de Janeiro, RJ (Brazil). Dept. de Fisica

2007-09-15

The present work investigated the effect of coprecipitation-oxidant synthesis on the specific surface area of perovskite-type oxides LaBO{sub 3} (BMn, Ni, Fe) for total oxidation of ethanol. The perovskite-type oxides were characterized by X-ray diffraction, nitrogen adsorption (BET method), thermogravimetric analysis (TGA-DTA), TPR and X-ray photoelectron spectroscopy (XPS). Through method involving the coprecipitation-oxidant was possible to obtain catalysts with different BET specific surface areas, of 33-51 m{sup 2}/g. The results of the catalytic test confirmed that all oxides investigated in this work have specific catalytic activity for total oxidation of ethanol, though the temperatures for total conversion change for each transition metal. (author)

High-temperature compressive creep behaviour of perovskite-type oxides SrTi1-xFexO3-δ

NARCIS (Netherlands)

ten Donkelaar, S.F.P.; Stournari, V.; Malzbender, J.; Nijmeijer, Arian; Bouwmeester, Henricus J.M.

2015-01-01

Compressive creep tests have been performed on mixed ionic-electronic conducting perovskite-type oxides SrTi1-xFexO3- (STF, x = 0.3, 0.5 and 0.7). Observed activation energies and stress exponents, at 800–1000 ◦C and in the stress range 10 100 MPa, indicate that the steady-state creep rate of STF

p-type Mesoscopic nickel oxide/organometallic perovskite heterojunction solar cells.

Science.gov (United States)

Wang, Kuo-Chin; Jeng, Jun-Yuan; Shen, Po-Shen; Chang, Yu-Cheng; Diau, Eric Wei-Guang; Tsai, Cheng-Hung; Chao, Tzu-Yang; Hsu, Hsu-Cheng; Lin, Pei-Ying; Chen, Peter; Guo, Tzung-Fang; Wen, Ten-Chin

2014-04-23

In this article, we present a new paradigm for organometallic hybrid perovskite solar cell using NiO inorganic metal oxide nanocrystalline as p-type electrode material and realized the first mesoscopic NiO/perovskite/[6,6]-phenyl C61-butyric acid methyl ester (PC61BM) heterojunction photovoltaic device. The photo-induced transient absorption spectroscopy results verified that the architecture is an effective p-type sensitized junction, which is the first inorganic p-type, metal oxide contact material for perovskite-based solar cell. Power conversion efficiency of 9.51% was achieved under AM 1.5 G illumination, which significantly surpassed the reported conventional p-type dye-sensitized solar cells. The replacement of the organic hole transport materials by a p-type metal oxide has the advantages to provide robust device architecture for further development of all-inorganic perovskite-based thin-film solar cells and tandem photovoltaics.

Metal Oxides as Efficient Charge Transporters in Perovskite Solar Cells

KAUST Repository

Haque, Mohammed

2017-07-10

Over the past few years, hybrid halide perovskites have emerged as a highly promising class of materials for photovoltaic technology, and the power conversion efficiency of perovskite solar cells (PSCs) has accelerated at an unprecedented pace, reaching a record value of over 22%. In the context of PSC research, wide-bandgap semiconducting metal oxides have been extensively studied because of their exceptional performance for injection and extraction of photo-generated carriers. In this comprehensive review, we focus on the synthesis and applications of metal oxides as electron and hole transporters in efficient PSCs with both mesoporous and planar architectures. Metal oxides and their doped variants with proper energy band alignment with halide perovskites, in the form of nanostructured layers and compact thin films, can not only assist with charge transport but also improve the stability of PSCs under ambient conditions. Strategies for the implementation of metal oxides with tailored compositions and structures, and for the engineering of their interfaces with perovskites will be critical for the future development and commercialization of PSCs.

Perovskite Oxide Thin Film Growth, Characterization, and Stability

Science.gov (United States)

Izumi, Andrew

Studies into a class of materials known as complex oxides have evoked a great deal of interest due to their unique magnetic, ferroelectric, and superconducting properties. In particular, materials with the ABO3 perovskite structure have highly tunable properties because of the high stability of the structure, which allows for large scale doping and strain. This also allows for a large selection of A and B cations and valences, which can further modify the material's electronic structure. Additionally, deposition of these materials as thin films and superlattices through techniques such as pulsed laser deposition (PLD) results in novel properties due to the reduced dimensionality of the material. The novel properties of perovskite oxide heterostructures can be traced to a several sources, including chemical intermixing, strain and defect formation, and electronic reconstruction. The correlations between microstructure and physical properties must be investigated by examining the physical and electronic structure of perovskites in order to understand this class of materials. Some perovskites can undergo phase changes due to temperature, electrical fields, and magnetic fields. In this work we investigated Nd0.5Sr 0.5MnO3 (NSMO), which undergoes a first order magnetic and electronic transition at T=158K in bulk form. Above this temperature NSMO is a ferromagnetic metal, but transitions into an antiferromagnetic insulator as the temperature is decreased. This rapid transition has interesting potential in memory devices. However, when NSMO is deposited on (001)-oriented SrTiO 3 (STO) or (001)-oriented (LaAlO3)0.3-(Sr 2AlTaO6)0.7 (LSAT) substrates, this transition is lost. It has been reported in the literature that depositing NSMO on (110)-oriented STO allows for the transition to reemerge due to the partial epitaxial growth, where the NSMO film is strained along the [001] surface axis and partially relaxed along the [11¯0] surface axis. This allows the NSMO film enough

Mixed valent perovskites Ba/sub 3/B/sup 3 +/Ru/sub 2/sup(4. 5+)O/sub 9/. Catalytic activity of perovskite oxides with noble metals

Energy Technology Data Exchange (ETDEWEB)

Treiber, U; Kemmler-Sack, S; Ehmann, A; Schaller, H U; Duerrschmidt, E; Thumm, I; Bader, H [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1981-10-01

The black compounds Ba/sub 3/B/sup 3 +/Ru/sub 2/O/sub 9/ crystallize with B/sup 3 +/ = La, Nd, Sm, Eu, Gd, Dy, Ho, Er, Tm, Yb, and Y in a hexagonal BaTiO/sub 3/ structure (6L, sequence (hcc)/sub 2/) with an ordered distribution (1:2 order) of B/sup 3 +/ and ruthenium (BO/sub 6/ single octahedra; Ru/sub 2/O/sub 9/ double groups). The mean oxidation state of ruthenium is about +4.5. The properties are compared with those of other isotypic stacking polytypes Ba/sub 3/B/sup 3 +/M/sub 2/sup(4.5)O/sub 9/ (M/sub 2/ = IrRu, Ir/sub 2/, PtRu) and Ba/sub 3/B/sup 2 +/M/sub 2//sup 5 +/O/sub 9/ (M = Ru, Ir). The results of activity tests concerning the efficiency of perovskite oxides with noble metals in respect of the oxidation of CO or CHsub(x) and the reduction of NOsub(x) are reported.

Formability of ABX3 (X=F,Cl,Br,I) halide perovskites

International Nuclear Information System (INIS)

Li Chonghea; Lu Xionggang; Ding Weizhong; Feng Liming; Gao Yonghui; Guo Ziming

2008-01-01

In this study a total of 186 complex halide systems were collected; the formabilities of ABX 3 (X = F, Cl, Br and I) halide perovskites were investigated using the empirical structure map, which was constructed by Goldschmidt's tolerance factor and the octahedral factor. A model for halide perovskite formability was built up. In this model obtained, for all 186 complex halides systems, only one system (CsF-MnF 2 ) without perovskite structure and six systems (RbF-PbF 2 , CsF- BeF 2 , KCl-FeCl 2 , TlI-MnI 2 , RbI-SnI 2 , TlI-PbI 2 ) with perovskite structure were wrongly classified, so its predicting accuracy reaches 96%. It is also indicated that both the tolerance factor and the octahedral factor are a necessary but not sufficient condition for ABX 3 halide perovskite formability, and a lowest limit of the octahedral factor exists for halide perovskite formation. This result is consistent with our previous report for ABO 3 oxide perovskite, and may be helpful to design novel halide materials with the perovskite structure. (orig.)

A CsPbBr3 Perovskite Quantum Dot/Graphene Oxide Composite for Photocatalytic CO2 Reduction.

Science.gov (United States)

Xu, Yang-Fan; Yang, Mu-Zi; Chen, Bai-Xue; Wang, Xu-Dong; Chen, Hong-Yan; Kuang, Dai-Bin; Su, Cheng-Yong

2017-04-26

Halide perovskite quantum dots (QDs), primarily regarded as optoelectronic materials for LED and photovoltaic devices, have not been applied for photochemical conversion (e.g., water splitting or CO 2 reduction) applications because of their insufficient stability in the presence of moisture or polar solvents. Herein, we report the use of CsPbBr 3 QDs as novel photocatalysts to convert CO 2 into solar fuels in nonaqueous media. Under AM 1.5G simulated illumination, the CsPbBr 3 QDs steadily generated and injected electrons into CO 2 , catalyzing CO 2 reduction at a rate of 23.7 μmol/g h with a selectivity over 99.3%. Additionally, through the construction of a CsPbBr 3 QD/graphene oxide (CsPbBr 3 QD/GO) composite, the rate of electron consumption increased 25.5% because of improved electron extraction and transport. This study is anticipated to provide new opportunities to utilize halide perovskite QD materials in photocatalytic applications.

Field-induced resistance switching at metal/perovskite manganese oxide interface

International Nuclear Information System (INIS)

Ohkubo, I.; Tsubouchi, K.; Harada, T.; Kumigashira, H.; Itaka, K.; Matsumoto, Y.; Ohnishi, T.; Lippmaa, M.; Koinuma, H.; Oshima, M.

2008-01-01

Planar type metal/insulator/metal structures composed of an epitaxial perovskite manganese oxide layer and various metal electrodes were prepared for electric-field-induced resistance switching. Only the electrode pairs including Al show good resistance switching and the switching ratio reaches its maximum of 1000. This resistance switching occurs around the interface between Al electrodes and epitaxial perovskite manganese oxide thin films

Sensing properties of perovskite oxide La0.5SR0.5Co0-3-d obtained by using pulsed laser deposition

NARCIS (Netherlands)

Dam, T.V.A.; Olthuis, Wouter; Bergveld, Piet

2004-01-01

La1−xSrxCoO3−δ belongs to the group of perovskite oxides of the ABO3 structure, with a trivalent rare earth in the A position (La) and a trivalent metal ion in the B position (Co). Doping with divalent Sr-ions at the trivalent La-positions creates oxygen vacancies which give the oxide catalytic

Electric and magnetic properties of oxidic titanium bronzes of rare earths Lnsub(2/3+x)TiOsub(3+-y) with perovskite structure

International Nuclear Information System (INIS)

Bazuev, G.V.; Makarova, O.V.; Shvejkin, G.P.

1983-01-01

A study was made on electric and magnetic properties of oxidic titanium bronzes of rare earths and their dependence on rare earth nature and the degree of rare earth sublattice filling was followed. Data on Lnsub(2/3)TiOsub(3-y) (Ln-Ce, Nd) anion-deficient perovskites are given as well. Investigated Cesub(2/3)TiOsub(2.985) and Ndsub(2/3)TiOsub(2.875) phases as well as defectless with respect to oxygen Lnsub(2/3)TiOsub(3) phases have rhombic structure of perovskite type with ordered position of Ln 3 + cations and vacancies. Specific electric resistance and thermoelectromotive force factor were determined in vacuum at 290-1173 K for samples in the form of parallelepiped of 3x5x25 mm 3 size. Magnetic susceptibility chi was determined at 77-300 K by Faraday method using a device based on magnetic balancewith electromagnetic compensation. Relative error during chi measuring didn't exceed +-2%. Collectivized behaviour of d-electrons of Ti 3 + cations in oxidic titanium bronzes of rare earths: Lnsub(2/3+x)TiOsub(3+-y) (Ln-La, Ce, Nd; 0 < x < 1/3), conditioned by formation of narrow, partly filled π*-zone, was established on the basis of measuring specific electric resistance and magnetic susceptibility

Rh promoted La0.75Sr0.25(Fe0.8Co0.2)1−xGaxO3-δ perovskite catalysts: Characterization and catalytic performance for methane partial oxidation to synthesis gas

International Nuclear Information System (INIS)

Palcheva, R.; Olsbye, U.; Palcut, M.; Rauwel, P.; Tyuliev, G.; Velinov, N.; Fjellvåg, H.H.

2015-01-01

Graphical abstract: - Highlights: • Perovskites type-oxide La 0.75 Sr 0.25 (Fe 0.8 Co 0.2 ) 1−x Ga x O 3-δ (x = 0.1, 0.25, 0.4) prepared by the sol–gel citrate method. • Bulk and surface analysis to determine catalysts composition evolution. • Anaerobic catalytic partial oxidation of methane to syngas at 600 °C in a pulse apparatus over Rh promoted perovskites. • The catalysts showed high stability and selectivity. - Abstract: Synthesis gas production via selective oxidation of methane at 600 °C in a pulse reaction over La 0.75 Sr 0.25 (Fe 0.8 Co 0.2 ) 1−x Ga x O 3-δ (x = 0.1, 0.25, 0.4) perovskite-supported rhodium catalysts, was investigated. The perovskite oxides were prepared by sol–gel citrate method and characterized by X-ray Diffraction (XRD), Moessbauer Spectroscopy (MS), Temperature Programmed Reduction (TPR-H 2 ), X-ray Photoelectron Spectroscopy (XPS) and High Resolution Transmission Electron Microscopy (HRTEM). According to XRD analysis, the synthesized samples were a single perovskite phase. The perovskite structure of Ga substituted samples remained stable after TPR-H 2 , as confirmed by XRD. Data of MS identified Fe 3+ ions in two distinctive coordination environments, and Fe 4+ ions. The Rh 2 O 3 thin overlayer was detected by the HRTEM for the Rh impregnated perovskite oxides. During the interaction of methane with oxidized perovskite-supported Rh (0.5 wt.%) catalysts, besides CO, H 2 , and surface carbon, CO 2 and H 2 O were formed. The Rh perovskite catalyst with x = 0.25 gallium exhibits the highest catalytic activity of 83% at 600 °C. The CO selectivity was affected by the reducibility of La 0.75 Sr 0.25 (Fe 0.8 Co 0.2 ) 1−x Ga x O 3-δ perovskite materials.

Methane combustion over lanthanum-based perovskite mixed oxides

Energy Technology Data Exchange (ETDEWEB)

Arandiyan, Hamidreza [New South Wales Univ., Sydney (Australia). School of Chemical Engineering

2015-11-01

This book presents current research into the catalytic combustion of methane using perovskite-type oxides (ABO{sub 3}). Catalytic combustion has been developed as a method of promoting efficient combustion with minimum pollutant formation as compared to conventional catalytic combustion. Recent theoretical and experimental studies have recommended that noble metals supported on (ABO{sub 3}) with well-ordered porous networks show promising redox properties. Three-dimensionally ordered macroporous (3DOM) materials with interpenetrated and regular mesoporous systems have recently triggered enormous research activity due to their high surface areas, large pore volumes, uniform pore sizes, low cost, environmental benignity, and good chemical stability. These are all highly relevant in terms of the utilization of natural gas in light of recent catalytic innovations and technological advances. The book is of interest to all researchers active in utilization of natural gas with novel catalysts. The research covered comes from the most important industries and research centers in the field. The book serves not only as a text for researcher into catalytic combustion of methane, 3DOM perovskite mixed oxide, but also explores the field of green technologies by experts in academia and industry. This book will appeal to those interested in research on the environmental impact of combustion, materials and catalysis.

Towards printed perovskite solar cells with cuprous oxide hole transporting layers

DEFF Research Database (Denmark)

Wang, Yan; Xia, Zhonggao; Liang, Jun

2015-01-01

Solution-processed p-type metal oxide materials have shown great promise in improving the stability of perovskite-based solar cells and offering the feasibility for a low cost printing fabrication process. Herein, we performed a device modeling study on planar perovskite solar cells with cuprous...... oxide (Cu2O) hole transporting layers (HTLs) by using a solar cell simulation program, wxAMPS. The performance of a Cu2O/perovskite solar cell was correlated to the material properties of the Cu2O HTL, such as thickness, carrier mobility, mid-gap defect, and doping...

Ordered meso- and macroporous perovskite oxide catalysts for emerging applications

DEFF Research Database (Denmark)

Arandiyan, Hamidreza; Wang, Yuan; Sun, Hongyu

2018-01-01

This feature article summarizes the recent progress in porous perovskite oxides as advanced catalysts for both energy conversion applications and various heterogeneous reactions. Recently, research has been focused on specifically designing porous perovskite materials so that large surface areas ...

Quasiparticle Interference on Cubic Perovskite Oxide Surfaces.

Science.gov (United States)

Okada, Yoshinori; Shiau, Shiue-Yuan; Chang, Tay-Rong; Chang, Guoqing; Kobayashi, Masaki; Shimizu, Ryota; Jeng, Horng-Tay; Shiraki, Susumu; Kumigashira, Hiroshi; Bansil, Arun; Lin, Hsin; Hitosugi, Taro

2017-08-25

We report the observation of coherent surface states on cubic perovskite oxide SrVO_{3}(001) thin films through spectroscopic-imaging scanning tunneling microscopy. A direct link between the observed quasiparticle interference patterns and the formation of a d_{xy}-derived surface state is supported by first-principles calculations. We show that the apical oxygens on the topmost VO_{2} plane play a critical role in controlling the coherent surface state via modulating orbital state.

Photoinduced Coherent Spin Fluctuation in Primary Dynamics of Insulator to Metal Transition in Perovskite Cobalt Oxide

Directory of Open Access Journals (Sweden)

Arima T.

2013-03-01

Full Text Available Coherent spin fluctuation was detected in the photoinduced Mott insulator-metal transition in perovskite cobalt oxide by using 3 optical-cycle infrared pulse. Such coherent spin fluctuation is driven by the perovskite distortion changing orbital gap.

Electrochemical performance of the rare-earth perovskite-type oxide La0.6Sr0.4Co0.2Fe0.8O3 as negative electrode material for Ni/oxide rechargeable batteries

Directory of Open Access Journals (Sweden)

John Henao

2017-08-01

Full Text Available Abstract In this paper, the perovskite-type oxide La0.6Sr0.4Co0.2Fe0.8O3 was evaluated as a novel negative electrode material for Ni/oxide rechargeable batteries. The structure and morphology of the as-prepared powder was studied by scanning electron microscopy and X-ray diffraction. The electrochemical performance of the perovskite-type oxide was investigated using chronopotentiometric, chronoamperometric and potentiodynamic polarization techniques. The maximum discharge capacity values of the perovskite-type electrodes were obtained during the first three cycles (51, 172 and 462 mAh g−1 at 298, 313 and 333 K, respectively. The maximum adsorption capability of hydrogen in the perovskite-type electrode was 1.72% wt. hydrogen at a current rate of 125 mA g−1, 333 K and 6 M KOH. The cycling ability was fairly good with 64% capacity conservation after 20 cycles at 333 K. The electrochemical evaluation was also performed using different electrolyte concentrations; interestingly, the maximum discharge capacity of the perovskite-type electrodes increased in a linear-like manner with the incremental changes in electrolyte concentration. The hydrogen diffusion coefficient and exchange current density were also estimated to discuss the kinetics of the process.

New ternary oxides with rhenium(4) of the perovskite structure

Energy Technology Data Exchange (ETDEWEB)

Jezowska-Trzebiatowska, B; Nowakowski, T; Mrozinski, J [Wroclaw Univ. (Poland)

1978-01-01

A series of ternary oxides described by general formula CaIrsub(x)Resub(1-x)O/sub 3/, where x 0.25; 0.33; 0.66; 0.75, has been obtained. The X-ray investigations have shown, that these compounds have a distorted perovskite structure. The proximal coordination sphere of Re/sup 4 +/ and Ir/sup 4 +/ ions constituted by an octahedron of oxide ions was confirmed by the IR spectra.

Sn2+—Stabilization in MASnI3 perovskites by superhalide incorporation

Science.gov (United States)

Xiang, Junxiang; Wang, Kan; Xiang, Bin; Cui, Xudong

2018-03-01

Sn-based hybrid halide perovskites are a potential solution to replace Pb and thereby reduce Pb toxicity in MAPbI3 perovskite-based solar cells. However, the instability of Sn2+ in air atmosphere causes a poor reproducibility of MASnI3, hindering steps towards this goal. In this paper, we propose a new type of organic metal-superhalide perovskite of MASnI2BH4 and MASnI2AlH4. Through first-principles calculations, our results reveal that the incorporation of BH4 and AlH4 superhalides can realize an impressive enhancement of oxidation resistance of Sn2+ in MASnI3 perovskites because of the large electron transfer between Sn2+ and [BH4]-/[AlH4]-. Meanwhile, the high carrier mobility is preserved in these superhalide perovskites and only a slight decrease is observed in the optical absorption strength. Our studies provide a new path to attain highly stable performance and reproducibility of Sn-based perovskite solar cells.

Electric and magnetic properties of oxidic titanium bronzes of rare earths Lnsub(2/3+x)TiOsub(3+-y) with perovskite structure

Energy Technology Data Exchange (ETDEWEB)

Bazuev, G V; Makarova, O V; Shvejkin, G P [AN SSSR, Sverdlovsk. Inst. Khimii

1983-01-01

A study was made on electric and magnetic properties of oxidic titanium bronzes of rare earths and their dependence on rare earth nature and the degree of rare earth sublattice filling was followed. Data on Lnsub(2/3)TiOsub(3-y) (Ln-Ce, Nd) anion-deficient perovskites are given as well. Investigated Cesub(2/3)TiOsub(2.985) and Ndsub(2/3)TiOsub(2.875) phases as well as defectless with respect to oxygen Lnsub(2/3)TiOsub(3) phases have rhombic structure of perovskite type with ordered position of Ln/sup 3 +/ cations and vacancies. Specific electric resistance and thermoelectromotive force factor were determined in vacuum at 290-1173 K for samples in the form of parallelepiped of 3x5x25 mm/sup 3/ size. Magnetic susceptibility chi was determined at 77-300 K by Faraday method using a device based on magnetic balance with electromagnetic compensation. Relative error during chi measuring didn't exceed +-2%. Collectivized behaviour of d-electrons of Ti/sup 3 +/ cations in oxidic titanium bronzes of rare earths: Lnsub(2/3+x)TiOsub(3+-y) (Ln-La, Ce, Nd; 0 < x < 1/3), conditioned by formation of narrow, partly filled ..pi..*-zone, was established on the basis of measuring specific electric resistance and magnetic susceptibility.

Non-hydrolytic metal oxide films for perovskite halide overcoating and stabilization

Science.gov (United States)

Martinson, Alex B.; Kim, In Soo

2017-09-26

A method of protecting a perovskite halide film from moisture and temperature includes positioning the perovskite halide film in a chamber. The chamber is maintained at a temperature of less than 200 degrees Celsius. An organo-metal compound is inserted into the chamber. A non-hydrolytic oxygen source is subsequently inserted into the chamber. The inserting of the organo-metal compound and subsequent inserting of the non-hydrolytic oxygen source into the chamber is repeated for a predetermined number of cycles. The non-hydrolytic oxygen source and the organo-metal compound interact in the chamber to deposit a non-hydrolytic metal oxide film on perovskite halide film. The non-hydrolytic metal oxide film protects the perovskite halide film from relative humidity of greater than 35% and a temperature of greater than 150 degrees Celsius, respectively.

Topological Oxide Insulator in Cubic Perovskite Structure

Science.gov (United States)

Jin, Hosub; Rhim, Sonny H.; Im, Jino; Freeman, Arthur J.

2013-01-01

The emergence of topologically protected conducting states with the chiral spin texture is the most prominent feature at the surface of topological insulators. On the application side, large band gap and high resistivity to distinguish surface from bulk degrees of freedom should be guaranteed for the full usage of the surface states. Here, we suggest that the oxide cubic perovskite YBiO3, more than just an oxide, defines itself as a new three-dimensional topological insulator exhibiting both a large bulk band gap and a high resistivity. Based on first-principles calculations varying the spin-orbit coupling strength, the non-trivial band topology of YBiO3 is investigated, where the spin-orbit coupling of the Bi 6p orbital plays a crucial role. Taking the exquisite synthesis techniques in oxide electronics into account, YBiO3 can also be used to provide various interface configurations hosting exotic topological phenomena combined with other quantum phases. PMID:23575973

Thermoelectric Properties of the Perovskite-Type Oxide SrTi1-xNbxO3 Synthesized by Solid-State Reaction Method

Science.gov (United States)

Khan, Tamal Tahsin; Ur, Soon-Chul

2018-05-01

The perovskite-type oxide materials SrTi1-xNbxO3 (X = .02, 0.03, 0.04, 0.05 and 0.06) were synthesized by the conventional solid-state reaction method and the thermoelectric properties in terms of Nb doping at the B-site in the oxides were investigated in this study. The formation of single phase cubic perovskite structure was confirmed by the powder X-ray diffraction analysis. Negative conduction is shown in this materials system. The absolute value of Seebeck coefficient increased with increasing temperature over the measured temperature. The electrical conductivity decreased monotonically with increasing temperature, showing degenerating conduction behavior. The thermal conductivity, k, generally decreased with increasing temperature. The power factor increased with increasing Nb-doping level up to 5.0 mol% and hence the dimensionless figure of merit ZT, increased up to 5.0 mol%. The maximum ZT value was observed for SrTi0.95Nb0.05O3 at 873 K.

Electrochemical properties of mixed conducting (La,M)(CoFe) oxide perovskites (M=3DSr, Ca, and Ba)

Energy Technology Data Exchange (ETDEWEB)

Stevenson, J.W.; Armstrong, T.R.; Bates, J.L. [and others

1996-04-01

Electrical properties and oxygen permeation properties of solid mixed-conducting electrolytes (La,M)(CoFe) oxide perovskites (M=3DSr, Ca, and Ba) have been characterized. These materials are potentially useful as passive membranes to separate high purity oxygen from air and as the cathode in a fuel cell. Dilatometric linear expansion measurements were performed as a function of temperature and oxygen partial pressure to evaluate the stability.

Ab initio study of perovskite type oxide materials for solid oxide fuel cells

Science.gov (United States)

Lee, Yueh-Lin

2011-12-01

Perovskite type oxides form a family of materials of significant interest for cathodes and electrolytes of solid oxide fuel cells (SOFCs). These perovskites not only are active catalysts for surface oxygen reduction (OR) reactions but also allow incorporating the spilt oxygen monomers into their bulk, an unusual and poorly understood catalytic mechanism that couples surface and bulk properties. The OR mechanisms can be influenced strongly by defects in perovskite oxides, composition, and surface defect structures. This thesis work initiates a first step in developing a general strategy based on first-principles calculations for detailed control of oxygen vacancy content, transport rates of surface and bulk oxygen species, and surface/interfacial reaction kinetics. Ab initio density functional theory methods are used to model properties relevant for the OR reactions on SOFC cathodes. Three main research thrusts, which focus on bulk defect chemistry, surface defect structures and surface energetics, and surface catalytic properties, are carried to investigate different level of material chemistry for improved understanding of key physics/factors that govern SOFC cathode OR activity. In the study of bulk defect chemistry, an ab initio based defect model is developed for modeling defect chemistry of LaMnO 3 under SOFC conditions. The model suggests an important role for defect interactions, which are typically excluded in previous defect models. In the study of surface defect structures and surface energetics, it is shown that defect energies change dramatically (1˜2 eV lower) from bulk values near surfaces. Based on the existing bulk defect model with the calculated ab initio surface defect energetics, we predict the (001) MnO 2 surface oxygen vacancy concentration of (La0.9Sr0.1 )MnO3 is about 5˜6 order magnitude higher than that of the bulk under typical SOFC conditions. Finally, for surface catalytic properties, we show that area specific resistance, oxygen

All-inorganic inverse perovskite solar cells using zinc oxide nanocolloids on spin coated perovskite layer

Science.gov (United States)

Shibayama, Naoyuki; Kanda, Hiroyuki; Yusa, Shin-ichi; Fukumoto, Shota; Baranwal, Ajay K.; Segawa, Hiroshi; Miyasaka, Tsutomu; Ito, Seigo

2017-07-01

We confirmed the influence of ZnO nanoparticle size and residual water on performance of all inorganic perovskite solar cells. By decreasing the size of the ZnO nanoparticles, the short-circuit current density ( Jsc) and open circuit photovoltage ( Voc) values are increased and the conversion efficiency is improved. Although the Voc value is not affected by the influence of residual water in the solution for preparing the ZnO layer, the Jsc value drops greatly. As a result, it was found that it is important to use the oxide nanoparticles with a small particle diameter and to reduce the water content in the oxide forming material in order to manufacture a highly efficient all inorganic perovskite solar cells.

Curtailing Perovskite Processing Limitations via Lamination at the Perovskite/Perovskite Interface

Energy Technology Data Exchange (ETDEWEB)

Van Hest, Marinus F [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Moore, David [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Klein, Talysa [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Christians, Jeffrey A [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Beard, Matthew C [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Berry, Joseph J [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Dunfield, Sean P. [University of Colorado; Fabian, David M. [University of California Irvine; Dixon, Alex G. [University of Colorado; Dou, Benjia [University of Colorado; Ardo, Shane [University of California Irvine; Shaheen, Sean E. [University of Colorado

2018-04-24

Standard layer-by-layer solution processing methods constrain lead-halide perovskite device architectures. The layer below the perovskite must be robust to the strong organic solvents used to form the perovskite while the layer above has a limited thermal budget and must be processed in nonpolar solvents to prevent perovskite degradation. To circumvent these limitations, we developed a procedure where two transparent conductive oxide/transport material/perovskite half stacks are independently fabricated and then laminated together at the perovskite/perovskite interface. Using ultraviolet-visible absorption spectroscopy, external quantum efficiency, X-ray diffraction, and time-resolved photoluminesence spectroscopy, we show that this procedure improves photovoltaic properties of the perovskite layer. Applying this procedure, semitransparent devices employing two high-temperature oxide transport layers were fabricated, which realized an average efficiency of 9.6% (maximum: 10.6%) despite series resistance limitations from the substrate design. Overall, the developed lamination procedure curtails processing constraints, enables new device designs, and affords new opportunities for optimization.

Charge disproportionation in Fe/sup 4 + -/oxides with perovskite-type structures

Energy Technology Data Exchange (ETDEWEB)

Takano, M; Nakanishi, N [Konan Univ., Kobe (Japan). Faculty of Science; Takeda, Y; Naka, S [Nagoya Univ. (Japan)

1979-01-01

For a further examination and elaboration of our simple charge disproportionation model for Fe/sup 4 +/-oxides, 2Fe/sup 4 +/..-->..Fe/sup 3 +/ + Fe/sup 5 +/, two series of solid solutions Casub(1-x)Srsub(x)FeO/sub 3/ and Srsub(1-x)Lasub(x)FeO/sub 3/ with the perovskite structure have been studied. The Moessbauer spectrum of Srsub(0,5)Lasub(0.5)FeO/sub 3/ at 4 K clearly indicates the disproportionation. For both series of oxides, the disproportionation seems to set in at the Tsub(N).

2:1 Charge disproportionation in perovskite-structure oxide La{sub 1/3}Ca{sub 2/3}FeO{sub 3} with unusually-high-valence Fe{sup 3.67+}

Energy Technology Data Exchange (ETDEWEB)

Guo, Haichuan; Hosaka, Yoshiteru; Seki, Hayato; Saito, Takashi; Ichikawa, Noriya [Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011 (Japan); Shimakawa, Yuichi, E-mail: shimak@scl.kyoto-u.ac.jp [Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011 (Japan); Integrated Research Consortium on Chemical Sciences, Uji, Kyoto 611-0011 (Japan)

2017-02-15

La{sub 1/3}Ca{sub 2/3}FeO{sub 3} with unusually-high-valence Fe{sup 3.67+} was synthesized at a high pressure and high temperature. The compound crystallizes in a √2a×2a×√2a perovskite cell in which the La and Ca ions at the A site are disordered. At 217 K the Fe{sup 3.67+} shows charge disproportionation to Fe{sup 3+} and Fe{sup 5+} in a ratio of 2:1, and this disproportionation is accompanied by transitions in magnetic and transport properties. The charge-disproportionated Fe{sup 3+} and Fe{sup 5+} are arranged along the <111> direction of the cubic perovskite cell. The local electronic and magnetic environments of Fe in La{sub 1/3}Ca{sub 2/3}FeO{sub 3} are quite similar to those of Fe in La{sub 1/3}Sr{sub 2/3}FeO{sub 3}, and the 2:1 charge disproportionation pattern of Fe{sup 3+} and Fe{sup 5+} in La{sub 1/3}Ca{sub 2/3}FeO{sub 3} is also the same as that in La{sub 1/3}Sr{sub 2/3}FeO{sub 3}. - Graphical abstract: The perovskite-structure oxide La{sub 1/3}Ca{sub 2/3}FeO{sub 3} with unusually-high-valence Fe{sup 3.67+} shows charge disproportionation to Fe{sup 3+} and Fe{sup 5+} in a ratio of 2:1, and the charge-disproportionated Fe{sup 3+} and Fe{sup 5+} are arranged along the <111> direction of the cubic perovskite cell. - Highlights: • La{sub 1/3}Ca{sub 2/3}FeO{sub 3} with unusually-high-valence Fe{sup 3.67+} was synthesized at a high pressure and high temperature. • At 217 K the Fe{sup 3.67+} shows charge disproportionation (CD) to Fe{sup 3+} and Fe{sup 5+} in a ratio of 2:1. • The charge-disproportionated Fe{sup 3+} and Fe{sup 5+} are arranged along the <111> direction of the cubic perovskite cell. • The disproportionation is accompanied by transitions in magnetic and transport properties.

Pressure-Induced Metallization of the Halide Perovskite (CH ₃ NH ₃ )PbI ₃

Energy Technology Data Exchange (ETDEWEB)

Jaffe, Adam; Lin, Yu [Photon; Mao, Wendy L. [Photon; Karunadasa, Hemamala I.

2017-03-10

We report the metallization of the hybrid perovskite semiconductor (MA)PbI3 (MA = CH3NH3+) with no apparent structural transition. We tracked its bandgap evolution during compression in diamond-anvil cells using absorption spectroscopy and observed strong absorption over both visible and IR wavelengths at pressures above ca. 56 GPa, suggesting the imminent closure of its optical bandgap. The metallic character of (MA)PbI3 above 60 GPa was confirmed using both IR reflectivity and variable-temperature dc conductivity measurements. The impressive semiconductor properties of halide perovskites have recently been exploited in a multitude of optoelectronic applications. Meanwhile, the study of metallic properties in oxide perovskites has revealed diverse electronic phenomena. Importantly, the mild synthetic routes to halide perovskites and the templating effects of the organic cations allow for fine structural control of the inorganic lattice. Pressure-induced closure of the 1.6 eV bandgap in (MA)PbI3 demonstrates the promise of the continued study of halide perovskites under a range of thermodynamic conditions, toward realizing wholly new electronic properties.

Formation enthalpies of LaLn'O{sub 3} (Ln'=Ho, Er, Tm and Yb) interlanthanide perovskites

Energy Technology Data Exchange (ETDEWEB)

Qi, Jianqi [Peter A. Rock Thermochemistry Laboratory and NEAT ORU, University of California, Davis, CA 95616 (United States); College of Physical Science and Technology, Sichuan University, Chengdu 610064 (China); Key Laboratory of Radiation Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064 (China); Key Laboratory of High Energy Density Physics of Ministry of Education, Sichuan University, Chengdu 610064 (China); Guo, Xiaofeng [Peter A. Rock Thermochemistry Laboratory and NEAT ORU, University of California, Davis, CA 95616 (United States); Mielewczyk-Gryn, Aleksandra [Peter A. Rock Thermochemistry Laboratory and NEAT ORU, University of California, Davis, CA 95616 (United States); Faculty of Applied Physics and Mathematics, Department of Solid State Physics, Gdansk University of Technology, Narutowicza 11/12, 80-233 Gdansk (Poland); Navrotsky, Alexandra, E-mail: anavrotsky@ucdavis.edu [Peter A. Rock Thermochemistry Laboratory and NEAT ORU, University of California, Davis, CA 95616 (United States)

2015-07-15

High-temperature oxide melt solution calorimetry using 3Na{sub 2}O·MoO{sub 3} at 802 °C was performed for interlanthanide perovskites LaLn'O{sub 3} (Ln'=Ho, Er, Tm and Yb) and lanthanide oxides (La{sub 2}O{sub 3}, Ho{sub 2}O{sub 3}, Er{sub 2}O{sub 3}, Tm{sub 2}O{sub 3} and Yb{sub 2}O{sub 3}). The enthalpies of formation of these interlanthanide perovskites from binary lanthanide oxides at room temperature (25 °C) were determined to be −8.3±3.4 kJ/mol for LaHoO{sub 3}, −9.9±3.0 kJ/mol for LaErO{sub 3}, −10.8±2.7 kJ/mol for LaTmO{sub 3} and −12.3±2.9 kJ/mol for LaYbO{sub 3}. There is a roughly linear relationships between these enthalpy values and the tolerance factor for these and for other LaM{sup 3+}O{sub 3} (M=In, Sc, Ga, Al, Fe and Cr) perovskites, confirming that the distortion of the perovskites as results from ionic radius difference of A-site and B-site cations, is the main factor determining the stability of these compounds. - Graphical abstract: A linear relationship between the enthalpy of formation and the tolerance factor for interlanthanide LaLn'O{sub 3} (Ln'=Ho, Er, Tm, and Yb) and other LaM{sup 3+}O{sub 3} (M=In, Sc, Ga, Al, Fe and Cr) perovskites. - Highlights: • Interlanthanide perovskites were synthesized by solid state reactions. • Their enthalpies of formation were measured by oxide melt solution calorimetry. • ΔH{sub f,ox} shows a linear relationship with tolerance factor.

Phase formation and UV luminescence of Gd{sup 3+} doped perovskite-type YScO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Shimizu, Yuhei; Ueda, Kazushige, E-mail: kueda@che.kyutech.ac.jp

2016-10-15

Synthesis of pure and Gd{sup 3+}doped perovskite-type YScO{sub 3} was attempted by a polymerized complex (PC) method and solid state reaction (SSR) method. Crystalline phases and UV luminescence of samples were examined with varying heating temperatures. The perovskite-type single phase was not simply formed in the SSR method, as reported in some literatures, and two cubic C-type phases of starting oxide materials remained forming slightly mixed solid solutions. UV luminescence of Gd{sup 3+} doped samples increased with an increase in heating temperatures and volume of the perovskite-type phase. In contrast, a non-crystalline precursor was crystallized to a single C-type phase at 800 °C in the PC method forming a completely mixed solid solution. Then, the phase of perovskite-type YScO{sub 3} formed at 1200 °C and its single phase was obtained at 1400 °C. It was revealed that high homogeneousness of cations was essential to generate the single perovskite-phase of YScO{sub 3}. Because Gd{sup 3+} ions were also dissolved into the single C-type phase in Gd{sup 3+} doped samples, intense UV luminescence was observed above 800 °C in both C-type phase and perovskite-type phase. - Graphical abstract: A pure perovskite-type YScO{sub 3} phase was successfully synthesized by a polymerized complex (PC) method. The perovskite-type YScO{sub 3} was generated through a solid solution of C-type (Y{sub 0.5}Sc{sub 0.5}){sub 2}O{sub 3} with drastic change of morphology. The PC method enabled a preparation of the single phase of the perovskite-type YScO{sub 3} at lower temperature and in shorter heating time. Gd{sup 3+} doped perovskite-type YScO{sub 3} was found to show a strong sharp UV emission at 314 nm. - Highlights: • Pure YScO{sub 3} phase was successfully synthesized by polymerized complex (PC) method. • Pure perovskite-type YScO{sub 3} phase was generated from pure C-type (Y{sub 0.5}Sc{sub 0.5}){sub 2}O{sub 3} one. • YScO{sub 3} was obtained at lower temperature and

Efficient planar heterojunction perovskite solar cells employing graphene oxide as hole conductor.

Science.gov (United States)

Wu, Zhongwei; Bai, Sai; Xiang, Jian; Yuan, Zhongcheng; Yang, Yingguo; Cui, Wei; Gao, Xingyu; Liu, Zhuang; Jin, Yizheng; Sun, Baoquan

2014-09-21

Graphene oxide (GO) is employed as a hole conductor in inverted planar heterojunction perovskite solar cells, and the devices with CH₃NH₃PbI₃-xClx as absorber achieve an efficiency of over 12%. The perovskite film grown on GO exhibits enhanced crystallization, high surface coverage ratio as well as preferred in-plane orientation of the (110) plane. Efficient hole extraction from the perovskite to GO is demonstrated.

Perovskite oxides: Oxygen electrocatalysis and bulk structure

Science.gov (United States)

Carbonio, R. E.; Fierro, C.; Tryk, D.; Scherson, D.; Yeager, Ernest

1987-01-01

Perovskite type oxides were considered for use as oxygen reduction and generation electrocatalysts in alkaline electrolytes. Perovskite stability and electrocatalytic activity are studied along with possible relationships of the latter with the bulk solid state properties. A series of compounds of the type LaFe(x)Ni1(-x)O3 was used as a model system to gain information on the possible relationships between surface catalytic activity and bulk structure. Hydrogen peroxide decomposition rate constants were measured for these compounds. Ex situ Mossbauer effect spectroscopy (MES), and magnetic susceptibility measurements were used to study the solid state properties. X ray photoelectron spectroscopy (XPS) was used to examine the surface. MES has indicated the presence of a paramagnetic to magnetically ordered phase transition for values of x between 0.4 and 0.5. A correlation was found between the values of the MES isomer shift and the catalytic activity for peroxide decomposition. Thus, the catalytic activity can be correlated to the d-electron density for the transition metal cations.

Surface strontium enrichment on highly active perovskites for oxygen electrocatalysis in solid oxide fuel cells

KAUST Repository

Crumlin, Ethan J.; Mutoro, Eva; Liu, Zhi; Grass, Michael E.; Biegalski, Michael D.; Lee, Yueh-Lin; Morgan, Dane; Christen, Hans M.; Bluhm, Hendrik; Shao-Horn, Yang

2012-01-01

Perovskite oxides have high catalytic activities for oxygen electrocatalysis competitive to platinum at elevated temperatures. However, little is known about the oxide surface chemistry that influences the activity near ambient oxygen partial pressures, which hampers the design of highly active catalysts for many clean-energy technologies such as solid oxide fuel cells. Using in situ synchrotron-based, ambient pressure X-ray photoelectron spectroscopy to study the surface chemistry changes, we show that the coverage of surface secondary phases on a (001)-oriented La 0.8Sr 0.2CoO 3-δ (LSC) film becomes smaller than that on an LSC powder pellet at elevated temperatures. In addition, strontium (Sr) in the perovskite structure enriches towards the film surface in contrast to the pellet having no detectable changes with increasing temperature. We propose that the ability to reduce surface secondary phases and develop Sr-enriched perovskite surfaces of the LSC film contributes to its enhanced activity for O 2 electrocatalysis relative to LSC powder-based electrodes. © 2012 The Royal Society of Chemistry.

A method for increasing the surface area of perovskite-type oxides

Indian Academy of Sciences (India)

ABO3-type perovskite oxides (A = rare earth element with or without its partial substitution by alkaline earth element, and B = transition element such as Co, Mn, Ni, Fe, etc., with or without its partial substitution by other transition elements) have high potential for their ... In our very recent communication 8, we have reported a ...

Rh promoted La{sub 0.75}Sr{sub 0.25}(Fe{sub 0.8}Co{sub 0.2}){sub 1−x}Ga{sub x}O{sub 3-δ} perovskite catalysts: Characterization and catalytic performance for methane partial oxidation to synthesis gas

Energy Technology Data Exchange (ETDEWEB)

Palcheva, R., E-mail: radost@ic.bas.bg [InGAP Centre for Research-based Innovation, SMN, University of Oslo, PO Box 1033, Blindern, Oslo 0315 Norway (Norway); Olsbye, U.; Palcut, M. [InGAP Centre for Research-based Innovation, SMN, University of Oslo, PO Box 1033, Blindern, Oslo 0315 Norway (Norway); Rauwel, P. [Department of Physics, SMN, University of Oslo, PO Box B 1048 Blindern, Oslo 0316 (Norway); Tyuliev, G.; Velinov, N. [Institute of Catalysis, Bulgarian Academy of Sciences, G. Bonchev Str., Bldg. 11, Sofia 1113 (Bulgaria); Fjellvåg, H.H. [InGAP Centre for Research-based Innovation, SMN, University of Oslo, PO Box 1033, Blindern, Oslo 0315 Norway (Norway)

2015-12-01

Graphical abstract: - Highlights: • Perovskites type-oxide La{sub 0.75}Sr{sub 0.25}(Fe{sub 0.8}Co{sub 0.2}){sub 1−x}Ga{sub x}O{sub 3-δ} (x = 0.1, 0.25, 0.4) prepared by the sol–gel citrate method. • Bulk and surface analysis to determine catalysts composition evolution. • Anaerobic catalytic partial oxidation of methane to syngas at 600 °C in a pulse apparatus over Rh promoted perovskites. • The catalysts showed high stability and selectivity. - Abstract: Synthesis gas production via selective oxidation of methane at 600 °C in a pulse reaction over La{sub 0.75}Sr{sub 0.25}(Fe{sub 0.8}Co{sub 0.2}){sub 1−x}Ga{sub x}O{sub 3-δ} (x = 0.1, 0.25, 0.4) perovskite-supported rhodium catalysts, was investigated. The perovskite oxides were prepared by sol–gel citrate method and characterized by X-ray Diffraction (XRD), Moessbauer Spectroscopy (MS), Temperature Programmed Reduction (TPR-H{sub 2}), X-ray Photoelectron Spectroscopy (XPS) and High Resolution Transmission Electron Microscopy (HRTEM). According to XRD analysis, the synthesized samples were a single perovskite phase. The perovskite structure of Ga substituted samples remained stable after TPR-H{sub 2}, as confirmed by XRD. Data of MS identified Fe{sup 3+} ions in two distinctive coordination environments, and Fe{sup 4+} ions. The Rh{sub 2}O{sub 3} thin overlayer was detected by the HRTEM for the Rh impregnated perovskite oxides. During the interaction of methane with oxidized perovskite-supported Rh (0.5 wt.%) catalysts, besides CO, H{sub 2}, and surface carbon, CO{sub 2} and H{sub 2}O were formed. The Rh perovskite catalyst with x = 0.25 gallium exhibits the highest catalytic activity of 83% at 600 °C. The CO selectivity was affected by the reducibility of La{sub 0.75}Sr{sub 0.25}(Fe{sub 0.8}Co{sub 0.2}){sub 1−x}Ga{sub x}O{sub 3-δ} perovskite materials.

Investigations of the electronic, magnetic and crystalline structure of perovskite oxides and an oxide-oxide interface

International Nuclear Information System (INIS)

Raisch, Christoph Werner

2013-01-01

The mineral perovskite CaTiO 3 lends its name to the class of compounds with composition ABX 3 , which have the same type of crystal structure known as the perovskite structure. Here, A and B are cations while X is typically a halogen or oxygen anion. The bigger cation A and the X anions form a cubic close packing AX 3 with the smaller B cation occupying one quarter of the octahedral sites. The underlying work deals with three classes of perovskite oxides, the ''titanates'', the ''cuprates'' and the ''manganites'', where the central B cations are Ti, Cu and Mn respectively, each class with very characteristic properties. Strontium titanate, STO, like so many oxides is an insulator, yet paraelectric and diamagnetic. It gained special interest as a commercially available, high quality substrate for the growth of hightemperature superconductors and other oxide thin films. The huge class of perovskite cuprates is most famous for members like YBCO, the well-known high-temperature superconductor. Finally, the doped, mixed-valent perovskite manganites LXMO (here X = Sr, Ca, Ce) have to be mentioned. They appeared on the screen of experimental and theoretical physicists in the 1950s when ferromagnetism and magnetoresistance were discovered in these compounds, leading to the theory of double exchange. In the mid-1990s they further increased their importance, following the description of the Jahn-Teller polaron and the discovery of the colossal magnetoresistance phenomenom. They may be derived from an insulator, LaMnO 3 , but the doping allows the control of electric and magnetic properties over a wide range, i.e. from insulating behavior to metallic conductivity or from diamagnet to ferromagnet. Further notable effects are found when electric or magnetic fields are applied, including spin polarization and the related effect of colossal magnetoresistance. These substances may be approximated as consisting of

Efficiency enhancement of perovskite solar cells using structural and morphological improvement of CH3NH3PbI3 absorber layers

Science.gov (United States)

Alidaei, Maryam; Izadifard, Morteza; Ghazi, Mohammad E.; Ahmadi, Vahid

2018-01-01

Perovskite solar cells have been heavily investigated due to their unique properties such as high power conversion efficiency (PCE), low-cost fabrication by solution processes, high diffusion length, large absorption coefficient, and direct and tunable band gap. PCE of perovskite devices is strongly dependent on the absorber layer properties such as morphology, crystallinity, and compactness, which are required to be optimized. In this work, the CH3NH3PbI3 (170-480 nm) absorber layers with various methylammonium iodine (MAI) concentrations (7, 10, 20 and 40 mg ml-1) and perovskite solar cells with the fluorine-doped tin oxide (400 nm)/C-TiO2 (30 nm)/Meso-TiO2 (400 nm)/CH3NH3PbI3 (170-480 nm)/P3HT (30 nm)/Au (100 nm) structure were fabricated. A two-step solution process was used for deposition of the CH3NH3PbI3 absorber layers. The morphology, crystal structure, and optical properties of the perovskite layer grown on glass and also the photovoltaic properties of the fabricated solar cells were studied. The results obtained showed that by controlling the deposition conditions, due to the reduction in charge recombination, PCE enhancement of the perovskite solar cell (up to 11.6%) was accessible.

Enthalpy changes when passing from simple to complex perovskite-like oxides

International Nuclear Information System (INIS)

Reznitskij, L.A.

1999-01-01

Formation enthalpies of complex perovskite-like oxides and their hexagonal analogs of the composition: Ba 2 ReFeO 6 , Sr 2 ReFeO 6 , Sr 2 ReMnO 6 , Ca 2 ReMnO 6 , Sr 2 WCrO 6 , Sr 2 MoCrO 6 , Ca 2 MoCrO 6 , Ca 2 WCrO 6 , Ba 3 Fe 2 ReO 9 , Ba 3 Cr 2 ReO 9 , Ba 2 RhTaO 6 and B 2 ScIrO 6 from simple oxides were calculated by approximate method using enthalpies of the cations coordination change in oxygen medium. The conclusion was made that enthalpy stabilization of the oxide with regard to simple oxides is mainly determined by the change in enthalpies of alkaline earth metal cations [ru

Synthesis and Evaluation of ABO3 Perovskites (A=La and B=Mn, Co with Stoichiometric and Over-stoichiometric Ratios of B/A for Catalytic Oxidation of Trichloroethylene

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Razieh Alagheband

2018-01-01

Full Text Available In this contribution, perovskite catalysts (ABO3 were probed that site A and site B were occupied by lanthanum and transition metals of manganese or cobalt, respectively, with stoichiometric ratios as well as 20 % over-stoichiometric ratios of B/A. The perovskite samples were synthesized using a gel-combustion method and characterized by BET, XRD, SEM and O2-TPD analyses. After mounting in a fixed bed reactor, the catalysts were examined in atmospheric pressure conditions at different temperatures for oxidation of 1000 ppm trichloroethylene in the air. Evaluation of over-stoichiometric catalysts activity showed that the increased ratio of B/A in the catalysts compared to the stoichiometric one led to BET surface area, oxygen mobility, and consequently catalytic performance improvement. The lanthanum manganite perovskite with 20 % excess manganese yielded the best catalytic performance among the probed perovskites. Copyright © 2018 BCREC Group. All rights reserved Received: 28th April 2017; Revised: 31st July 2017; Accepted: 4th August 2017; Available online: 22nd January 2018; Published regularly: 2nd April 2018 How to Cite: Alagheband, R., Maghsoodi, S., Kootenaei, A.S., Kianmanesh, H. (2018. Synthesis and Evaluation of ABO3 Perovskites (A=La and B=Mn, Co with Stoichiometric and Over-stoichiometric Ratios of B/A for Catalytic Oxidation of Trichloroethylene. Bulletin of Chemical Reaction Engineering & Catalysis, 13 (1: 47-56 (doi:10.9767/bcrec.13.1.1188.47-56

LaFePdO3 perovskite automotive catalyst having a self-regenerative function

International Nuclear Information System (INIS)

Tanaka, Hirohisa; Tan, Isao; Uenishi, Mari; Taniguchi, Masashi; Kimura, Mareo; Nishihata, Yasuo; Mizuki, Jun'ichiro

2006-01-01

An automotive gasoline engine is operated close to the stoichiometric air-to-fuel ratio to convert the pollutant emissions simultaneously, accompanying with redox (reduction and oxidation) fluctuations in exhaust-gas composition through adjusting the air-to-fuel ratio. An innovative LaFe 0.95 Pd 0.05 O 3 perovskite catalyst, named 'the intelligent catalyst', has been developed, and which has a new self-regenerative function of the precious metal in the inherent fluctuations of automotive exhaust-gas. The LaFe 0.95 Pd 0.05 O 3 perovskite catalyst, La located at the A-site, was prepared by the alkoxide method. Pd located at the B-site of the perovskite lattice in the oxidative atmosphere, and segregated out to form small metallic particles in the reductive atmosphere. The catalyst retained a predominantly perovskite structure throughout a redox cycle of the exhaust-gas, while the local structure around Pd could be changed in a completely reversible manner. The agglomeration and growth of Pd particles is suppressed, even under the severe environment, as a result of the movement between inside and outside the perovskite lattice. It is revealed that the self-regenerative function of Pd occurs even at 200 deg. C, unexpectedly low temperature, in the LaFe 0.95 Pd 0.05 O 3 catalyst. Since the high catalytic activity is maintained, the great reduction of Pd loading has been achieved. The intelligent catalyst is expected as a new application of the rare earth, and then the technology is expected in the same way in the global standard of the catalyst designing

Preparation and properties of crystals of mixed refractory oxides with perovskite structure

Energy Technology Data Exchange (ETDEWEB)

Melekh, B T; Andreev, A A; Kartenko, N F; Pevtsov, A B; Trepakov, V A; Filin, Yu N [AN SSSR, Moscow. Fiziko-Tekhnicheskij Inst.

1982-10-01

Peculiar features of crystal growth of some complex refractory oxides with perovskite structure using the method of direct high-frequency melting in a cold container are studied. Melting, synthesis and directed crystallization have been conducted in the air. X-ray diffraction investigations of the prepared SrTiO/sub 3/, CaZrO/sub 3/, BaZrO/sub 3/, BaHFO/sub 3/, LaCrO/sub 3/, YCrO/sub 3/, ErCrO/sub 3/, La/sub 2/Ti/sub 2/O/sub 7/, LaTaO/sub 3/ and other oxides are conducted, lattice parameters are given. Optical spectra of absorption, photo- and thermoluminescence and thermostimulated currents are studied.

Lanthanoid-free perovskite oxide catalyst for dehydrogenation of ethylbenzene working with redox mechanism

Science.gov (United States)

Watanabe, Ryo; Ikushima, Maiko; Mukawa, Kei; Sumomozawa, Fumitaka; Ogo, Shuhei; Sekine, Yasushi

2013-01-01

For the development of highly active and robust catalysts for dehydrogenation of ethylbenzene (EBDH) to produce styrene; an important monomer for polystyrene production, perovskite-type oxides were applied to the reaction. Controlling the mobility of lattice oxygen by changing the structure of Ba1 − xSrxFeyMn1 − yO3 − δ (0 ≤ x ≤ 1, 0.2 ≤ y ≤ 0.8), perovskite catalyst showed higher activity and stability on EBDH. The optimized Ba/Sr and Fe/Mn molar ratios were 0.4/0.6 and 0.6/0.4, respectively. Comparison of the dehydrogenation activity of Ba0.4Sr0.6Fe0.6Mn0.4O3 − δ catalyst with that of an industrial potassium promoted iron (Fe–K) catalyst revealed that the Ba0.4Sr0.6Fe0.6Mn0.4O3 − δ catalyst showed higher initial activity than the industrial Fe–K oxide catalyst. Additionally, the Ba0.4Sr0.6Fe0.6Mn0.4O3 − δ catalyst showed high activity and stability under severe conditions, even at temperatures as low as 783 K, or at the low steam/EB ratio of 2, while, the Fe–K catalyst showed low activity in such conditions. Comparing reduction profiles of the Ba0.4Sr0.6Fe0.6Mn0.4O3 − δ and the Fe–K catalysts in a H2O/H2 atmosphere, reduction was suppressed by the presence of H2O over the Ba0.4Sr0.6Fe0.6Mn0.4O3 − δ catalyst while the Fe–K catalyst was reduced. In other words, Ba0.4Sr0.6Fe0.6Mn0.4O3 − δ catalyst had higher potential for activating the steam than the Fe–K catalyst. The lattice oxygen in perovskite-structure was consumed by H2, subsequently the consumed lattice oxygen was regenerated by H2O. So the catalytic performance of Ba0.4Sr0.6Fe0.6Mn0.4O3 − δ was superior to that of Fe–K catalyst thanks to the high redox property of the Ba0.4Sr0.6Fe0.6Mn0.4O3 − δ perovskite oxide. PMID:24790949

Lanthanoid-free perovskite oxide catalyst for dehydrogenation of ethylbenzene working with redox mechanism

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Ryo eWatanabe

2013-10-01

Full Text Available For the development of highly active and robust catalysts for dehydrogenation of ethylbenzene (EBDH to produce styrene; an important monomer for polystyrene production, perovskite-type oxides were applied to the reaction. Controlling the mobility of lattice oxygen by changing the structure of Ba1–xSrxFeyMn1–yO3–d(0 ≤ x≤ 1, 0.2 ≤ y≤ 0.8, perovskite catalyst showed higher activity and stability on EBDH. The optimized Ba/Sr and Fe/Mn molar ratios were 0.4/0.6 and 0.6/0.4, respectively. Comparison of the dehydrogenation activity of Ba0.4Sr0.6Fe0.6Mn0.4O3–d catalyst with that of an industrial potassium promoted iron (Fe–K catalyst revealed that the Ba0.4Sr0.6Fe0.6Mn0.4O3–d catalyst showed higher initial activity than the industrial Fe–K oxide catalyst. Additionally, the Ba0.4Sr0.6Fe0.6Mn0.4O3–d catalyst showed high activity and stability under severe conditions, even at temperatures as low as 783 K, or at the low steam/EB ratio of 2, while, the Fe–K catalyst showed low activity in such conditions. Comparing reduction profiles of the Ba0.4Sr0.6Fe0.6Mn0.4O3–d and the Fe–K catalysts in aH2O/H2 atmosphere, reduction was suppressed by the presence of H2O over the Ba0.4Sr0.6Fe0.6Mn0.4O3–d catalyst while the Fe–K catalyst was reduced. In other words, Ba0.4Sr0.6Fe0.6Mn0.4O3–d catalyst had higher potential for activating the steam than the Fe–K catalyst. The lattice oxygen in perovskite-structure was consumed by H2, subsequently the consumed lattice oxygen was regenerated by H2O. So the catalytic performance of Ba0.4Sr0.6Fe0.6Mn0.4O3–d was superior to that of Fe–K catalyst thanks to the high redox property of the Ba0.4Sr0.6Fe0.6Mn0.4O3–d perovskite oxide.

Lanthanoid-free perovskite oxide catalyst for dehydrogenation of ethylbenzene working with redox mechanism

Science.gov (United States)

Watanabe, Ryo; Ikushima, Maiko; Mukawa, Kei; Sumomozawa, Fumitaka; Ogo, Shuhei; Sekine, Yasushi

2013-10-01

For the development of highly active and robust catalysts for dehydrogenation of ethylbenzene (EBDH) to produce styrene; an important monomer for polystyrene production, perovskite-type oxides were applied to the reaction. Controlling the mobility of lattice oxygen by changing the structure of Ba1-xSrxFeyMn1-yO3-d(0 ≤ x≤ 1, 0.2 ≤ y≤ 0.8), perovskite catalyst showed higher activity and stability on EBDH. The optimized Ba/Sr and Fe/Mn molar ratios were 0.4/0.6 and 0.6/0.4, respectively. Comparison of the dehydrogenation activity of Ba0.4Sr0.6Fe0.6Mn0.4O3-d catalyst with that of an industrial potassium promoted iron (Fe-K) catalyst revealed that the Ba0.4Sr0.6Fe0.6Mn0.4O3-d catalyst showed higher initial activity than the industrial Fe-K oxide catalyst. Additionally, the Ba0.4Sr0.6Fe0.6Mn0.4O3-d catalyst showed high activity and stability under severe conditions, even at temperatures as low as 783 K, or at the low steam/EB ratio of 2, while, the Fe-K catalyst showed low activity in such conditions. Comparing reduction profiles of the Ba0.4Sr0.6Fe0.6Mn0.4O3-d and the Fe-K catalysts in aH2O/H2 atmosphere, reduction was suppressed by the presence of H2O over the Ba0.4Sr0.6Fe0.6Mn0.4O3-d catalyst while the Fe-K catalyst was reduced. In other words, Ba0.4Sr0.6Fe0.6Mn0.4O3-d catalyst had higher potential for activating the steam than the Fe-K catalyst. The lattice oxygen in perovskite-structure was consumed by H2, subsequently the consumed lattice oxygen was regenerated by H2O. So the catalytic performance of Ba0.4Sr0.6Fe0.6Mn0.4O3-d was superior to that of Fe-K catalyst thanks to the high redox property of the Ba0.4Sr0.6Fe0.6Mn0.4O3-d perovskite oxide.

Lanthanoid-free perovskite oxide catalyst for dehydrogenation of ethylbenzene working with redox mechanism.

Science.gov (United States)

Watanabe, Ryo; Ikushima, Maiko; Mukawa, Kei; Sumomozawa, Fumitaka; Ogo, Shuhei; Sekine, Yasushi

2013-01-01

For the development of highly active and robust catalysts for dehydrogenation of ethylbenzene (EBDH) to produce styrene; an important monomer for polystyrene production, perovskite-type oxides were applied to the reaction. Controlling the mobility of lattice oxygen by changing the structure of Ba1 - x SrxFe y Mn1 - y O3 - δ (0 ≤ x ≤ 1, 0.2 ≤ y ≤ 0.8), perovskite catalyst showed higher activity and stability on EBDH. The optimized Ba/Sr and Fe/Mn molar ratios were 0.4/0.6 and 0.6/0.4, respectively. Comparison of the dehydrogenation activity of Ba0.4Sr0.6Fe0.6Mn0.4O3 - δ catalyst with that of an industrial potassium promoted iron (Fe-K) catalyst revealed that the Ba0.4Sr0.6Fe0.6Mn0.4O3 - δ catalyst showed higher initial activity than the industrial Fe-K oxide catalyst. Additionally, the Ba0.4Sr0.6Fe0.6Mn0.4O3 - δ catalyst showed high activity and stability under severe conditions, even at temperatures as low as 783 K, or at the low steam/EB ratio of 2, while, the Fe-K catalyst showed low activity in such conditions. Comparing reduction profiles of the Ba0.4Sr0.6Fe0.6Mn0.4O3 - δ and the Fe-K catalysts in a H2O/H2 atmosphere, reduction was suppressed by the presence of H2O over the Ba0.4Sr0.6Fe0.6Mn0.4O3 - δ catalyst while the Fe-K catalyst was reduced. In other words, Ba0.4Sr0.6Fe0.6Mn0.4O3 - δ catalyst had higher potential for activating the steam than the Fe-K catalyst. The lattice oxygen in perovskite-structure was consumed by H2, subsequently the consumed lattice oxygen was regenerated by H2O. So the catalytic performance of Ba0.4Sr0.6Fe0.6Mn0.4O3 - δ was superior to that of Fe-K catalyst thanks to the high redox property of the Ba0.4Sr0.6Fe0.6Mn0.4O3 - δ perovskite oxide.

Determining the energetics of vicinal perovskite oxide surfaces

NARCIS (Netherlands)

Wessels, W.A.; Bollmann, Tjeerd Rogier Johannes; Koster, Gertjan; Zandvliet, Henricus J.W.; Rijnders, Augustinus J.H.M.

2017-01-01

The energetics of vicinal SrTiO3(001) and DyScO3(110), prototypical perovskite vicinal surfaces, has been studied using topographic atomic force microscopy imaging. The kink formation and strain relaxation energies are extracted from a statistical analysis of the step meandering. Both perovskite

Novel Mg-Doped SrMoO3 Perovskites Designed as Anode Materials for Solid Oxide Fuel Cells

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Vanessa Cascos

2016-07-01

Full Text Available SrMo1−xMxO3−δ (M = Fe and Cr, x = 0.1 and 0.2 oxides have been recently described as excellent anode materials for solid oxide fuel cells at intermediate temperatures (IT-SOFC with LSGM as the electrolyte. In this work, we have improved their properties by doping with aliovalent Mg ions at the B-site of the parent SrMoO3 perovskite. SrMo1−xMgxO3−δ (x = 0.1, 0.2 oxides have been prepared, characterized and tested as anode materials in single solid-oxide fuel cells, yielding output powers near 900 mW/cm−2 at 850 °C using pure H2 as fuel. We have studied its crystal structure with an “in situ” neutron power diffraction (NPD experiment at temperatures as high as 800 °C, emulating the working conditions of an SOFC. Adequately high oxygen deficiencies, observed by NPD, together with elevated disk-shaped anisotropic displacement factors suggest a high ionic conductivity at the working temperatures. Furthermore, thermal expansion measurements, chemical compatibility with the LSGM electrolyte, electronic conductivity and reversibility upon cycling in oxidizing-reducing atmospheres have been carried out to find out the correlation between the excellent performance as an anode and the structural features.

Anomalous perovskite PbRuO3 stabilized under high pressure

Science.gov (United States)

Cheng, J.-G.; Kweon, K. E.; Zhou, J.-S.; Alonso, J. A.; Kong, P.-P.; Liu, Y.; Jin, Changqing; Wu, Junjie; Lin, Jung-Fu; Larregola, S. A.; Yang, Wenge; Shen, Guoyin; MacDonald, A. H.; Manthiram, Arumugam; Hwang, G. S.; Goodenough, John B.

2013-01-01

Perovskite oxides ABO3 are important materials used as components in electronic devices. The highly compact crystal structure consists of a framework of corner-shared BO6 octahedra enclosing the A-site cations. Because of these structural features, forming a strong bond between A and B cations is highly unlikely and has not been reported in the literature. Here we report a pressure-induced first-order transition in PbRuO3 from a common orthorhombic phase (Pbnm) to an orthorhombic phase (Pbn21) at 32 GPa by using synchrotron X-ray diffraction. This transition has been further verified with resistivity measurements and Raman spectra under high pressure. In contrast to most well-studied perovskites under high pressure, the Pbn21 phase of PbRuO3 stabilized at high pressure is a polar perovskite. More interestingly, the Pbn21 phase has the most distorted octahedra and a shortest Pb—Ru bond length relative to the average Pb—Ru bond length that has ever been reported in a perovskite structure. We have also simulated the behavior of the PbRuO3 perovskite under high pressure by first principles calculations. The calculated critical pressure for the phase transition and evolution of lattice parameters under pressure match the experimental results quantitatively. Our calculations also reveal that the hybridization between a Ru:t2g orbital and an sp hybrid on Pb increases dramatically in the Pbnm phase under pressure. This pressure-induced change destabilizes the Pbnm phase to give a phase transition to the Pbn21 phase where electrons in the overlapping orbitals form bonding and antibonding states along the shortest Ru—Pb direction at P > Pc. PMID:24277807

Magnetron sputtered zinc oxide nanorods as thickness-insensitive cathode interlayer for perovskite planar-heterojunction solar cells.

Science.gov (United States)

Liang, Lusheng; Huang, Zhifeng; Cai, Longhua; Chen, Weizhong; Wang, Baozeng; Chen, Kaiwu; Bai, Hua; Tian, Qingyong; Fan, Bin

2014-12-10

Suitable electrode interfacial layers are essential to the high performance of perovskite planar heterojunction solar cells. In this letter, we report magnetron sputtered zinc oxide (ZnO) film as the cathode interlayer for methylammonium lead iodide (CH3NH3PbI3) perovskite solar cell. Scanning electron microscopy and X-ray diffraction analysis demonstrate that the sputtered ZnO films consist of c-axis aligned nanorods. The solar cells based on this ZnO cathode interlayer showed high short circuit current and power conversion efficiency. Besides, the performance of the device is insensitive to the thickness of ZnO cathode interlayer. Considering the high reliability and maturity of sputtering technique both in lab and industry, we believe that the sputtered ZnO films are promising cathode interlayers for perovskite solar cells, especially in large-scale production.

Nature of potential barrier in (Ca 1/4,Cu 3/4)TiO 3 polycrystalline perovskite

Science.gov (United States)

Marques, V. P. B.; Bueno, P. R.; Simões, A. Z.; Cilense, M.; Varela, J. A.; Longo, E.; Leite, E. R.

2006-04-01

The nonohmic electrical features of (Ca 1/4,Cu 3/4)TiO 3 perovskite ceramics, which have very strong gigantic dielectric is believed originate from potential barriers at the grain boundaries. In the present study, we used the admittance and impedance spectroscopy technique to investigate (Ca 1/4,Cu 3/4)TiO 3 perovskite ceramics with low nonohmic electrical properties. The study was conducted under two different conditions: on as-sintered ceramics and on ceramics thermally treated in an oxygen-rich atmosphere. The results confirm that thermal treatment in oxygen-rich atmospheres influence the nonohmic properties. Annealing at oxygen-rich atmospheres improve the nonohmic behavior and annealing at oxygen-poor atmospheres decrease the nonohmic properties, a behavior already reported for common metal oxide nonohmic devices and here firstly evidenced for the (Ca 1/4,Cu 3/4)TiO 3 perovskite related materials. The results show that oxygen also influences the capacitance values at low frequencies, a behavior that is indicative of the Schottky-type nature of the potential barrier.

Direct Vapor Growth of Perovskite CsPbBr3 Nanoplate Electroluminescence Devices.

Science.gov (United States)

Hu, Xuelu; Zhou, Hong; Jiang, Zhenyu; Wang, Xiao; Yuan, Shuangping; Lan, Jianyue; Fu, Yongping; Zhang, Xuehong; Zheng, Weihao; Wang, Xiaoxia; Zhu, Xiaoli; Liao, Lei; Xu, Gengzhao; Jin, Song; Pan, Anlian

2017-10-24

Metal halide perovskite nanostructures hold great promises as nanoscale light sources for integrated photonics due to their excellent optoelectronic properties. However, it remains a great challenge to fabricate halide perovskite nanodevices using traditional lithographic methods because the halide perovskites can be dissolved in polar solvents that are required in the traditional device fabrication process. Herein, we report single CsPbBr 3 nanoplate electroluminescence (EL) devices fabricated by directly growing CsPbBr 3 nanoplates on prepatterned indium tin oxide (ITO) electrodes via a vapor-phase deposition. Bright EL occurs in the region near the negatively biased contact, with a turn-on voltage of ∼3 V, a narrow full width at half-maximum of 22 nm, and an external quantum efficiency of ∼0.2%. Moreover, through scanning photocurrent microscopy and surface electrostatic potential measurements, we found that the formation of ITO/p-type CsPbBr 3 Schottky barriers with highly efficient carrier injection is essential in realizing the EL. The formation of the ITO/p-type CsPbBr 3 Schottky diode is also confirmed by the corresponding transistor characteristics. The achievement of EL nanodevices enabled by directly grown perovskite nanostructures could find applications in on-chip integrated photonics circuits and systems.

Ionic conductivity in new perovskite type oxides: NaAZrMO6 (A = Ca or Sr; M = Nb or Ta)

International Nuclear Information System (INIS)

Rajendran, Deepthi N.; Ravindran Nair, K.; Prabhakar Rao, P.; Sibi, K.S.; Koshy, Peter; Vaidyan, V.K.

2008-01-01

New oxides of the type, NaAZrMO 6 (M = Ca or Sr; M = Nb or Ta), have been prepared by the solid-state reaction technique. Phase identification by powder X-ray diffraction (XRD) shows that NaCaZrMO 6 has orthorhombic perovskite type structure (Pnma) and NaSrZrMO 6 has cubic perovskite type structure (Pm3m). The grain morphology observation by scanning electron microscope (SEM) shows well-sintered grains. ac impedance spectra and electrical conductivity measurements in air, oxygen and nitrogen atmospheres indicate that they are probable oxide ion conductors with ionic conductivities of the order of 10 -3 S cm -1 at 750 deg. C

High-pressure stability relations, crystal structures, and physical properties of perovskite and post-perovskite of NaNiF3

International Nuclear Information System (INIS)

Shirako, Y.; Shi, Y.G.; Aimi, A.; Mori, D.; Kojitani, H.; Yamaura, K.; Inaguma, Y.; Akaogi, M.

2012-01-01

NaNiF 3 perovskite was found to transform to post-perovskite at 16–18 GPa and 1273–1473 K. The equilibrium transition boundary is expressed as P (GPa)=−2.0+0.014×T (K). Structure refinements indicated that NaNiF 3 perovskite and post-perovskite have almost regular NiF 6 octahedra consistent with absence of the first-order Jahn–Teller active ions. Both NaNiF 3 perovskite and post-perovskite are insulators. The perovskite underwent a canted antiferromagnetic transition at 156 K, and the post-perovskite antiferromagnetic transition at 22 K. Magnetic exchange interaction of NaNiF 3 post-perovskite is smaller than that of perovskite, reflecting larger distortion of Ni–F–Ni network and lower dimension of octahedral arrangement in post-perovskite than those in perovskite. - Graphical abstract: Perovskite–post-perovskite transition in NaNiF 3 at high pressure Highlights: ► NaNiF 3 perovskite (Pv) transforms to post-perovskite (pPv) at 16 GPa and 1300 K. ► The equilibrium transition boundary is expressed as P (GPa)=−2.0+0.014 T (K). ► Antiferromagnetic transition occurs at 156 K in Pv and 22 K in pPv.

Ionic behavior of organic-inorganic metal halide perovskite based metal-oxide-semiconductor capacitors.

Science.gov (United States)

Wang, Yucheng; Zhang, Yuming; Pang, Tiqiang; Xu, Jie; Hu, Ziyang; Zhu, Yuejin; Tang, Xiaoyan; Luan, Suzhen; Jia, Renxu

2017-05-24

Organic-inorganic metal halide perovskites are promising semiconductors for optoelectronic applications. Despite the achievements in device performance, the electrical properties of perovskites have stagnated. Ion migration is speculated to be the main contributing factor for the many unusual electrical phenomena in perovskite-based devices. Here, to understand the intrinsic electrical behavior of perovskites, we constructed metal-oxide-semiconductor (MOS) capacitors based on perovskite films and performed capacitance-voltage (C-V) and current-voltage (I-V) measurements of the capacitors. The results provide direct evidence for the mixed ionic-electronic transport behavior within perovskite films. In the dark, there is electrical hysteresis in both the C-V and I-V curves because the mobile negative ions take part in charge transport despite frequency modulation. However, under illumination, the large amount of photoexcited free carriers screens the influence of the mobile ions with a low concentration, which is responsible for the normal C-V properties. Validation of ion migration for the gate-control ability of MOS capacitors is also helpful for the investigation of perovskite MOS transistors and other gate-control photovoltaic devices.

Antiferroelectric Nature of CH3NH3PbI3-xClx Perovskite and Its Implication for Charge Separation in Perovskite Solar Cells

Science.gov (United States)

Sewvandi, Galhenage A.; Kodera, Kei; Ma, Hao; Nakanishi, Shunsuke; Feng, Qi

2016-07-01

Perovskite solar cells (PSCs) have been attracted scientific interest due to high performance. Some researchers have suggested anomalous behavior of PSCs to the polarizations due to the ion migration or ferroelectric behavior. Experimental results and theoretical calculations have suggested the possibility of ferroelectricity in organic-inorganic perovskite. However, still no studies have been concretely discarded the ferroelectric nature of perovskite absorbers in PSCs. Hysteresis of P-E (polarization-electric field) loops is an important evidence to confirm the ferroelectricity. In this study, P-E loop measurements, in-depth structural study, analyses of dielectric behavior and the phase transitions of CH3NH3PbI3-xClx perovskite were carried out and investigated. The results suggest that CH3NH3PbI3-xClx perovskite is in an antiferroelectric phase at room temperature. The antiferroelectric phase can be switched to ferroelectric phase by the poling treatment and exhibits ferroelectric-like hysteresis P-E loops and dielectric behavior around room temperature; namely, the perovskite can generate a ferroelectric polarization under PSCs operating conditions. Furthermore, we also discuss the implications of ferroelectric polarization on PSCs charge separation.

Structural properties, electric response and electronic feature of BaSnO3 perovskite

International Nuclear Information System (INIS)

Cuervo Farfan, J.; Arbey Rodriguez, J.; Fajardo, F.; Vera Lopez, E.; Landinez Tellez, D.A.; Roa-Rojas, J.

2009-01-01

It has been observed that the semiconducting compound SnO 2 presents very good results as gas sensor. One important development has been performed to study perovskite oxides for this relevant application. One oxide material which constitutes an excellent candidate for this technological application is BaSnO 3 . Polycrystalline samples with single phase of BaSnO 3 were synthesized by using the solid state reaction method. Samples were characterized structurally by means of X-ray diffraction (XRD) technique. Rietveld refinement, by using the GSAS code, reveals that this material synthesizes in a cubic perovskite, space group Pm3m (no. 221), with lattice parameter 4.1190(3)A. Electric response was examined through the impedance spectroscopy technique. Results of Bode diagram, from an equivalent circuit, evidence the semiconductor character of material. We carried out a theoretical study by means of the calculation of the bands diagram and the density of states of the BaSnO 3 . Calculation was performed by employing the density functional theory (DFT), with the generalized gradient approach (GGA). DFT theory permitted to establish that BaSnO 3 material has an indirect semiconducting behavior. The calculated gap for this perovskite-like stagnate is at least 0.4 eV. Bulk modulus for material was also determined to be 132 GPa.

An experimental study of perovskite-structured mixed ionic- electronic conducting oxides and membranes

Science.gov (United States)

Zeng, Pingying

In recent decades, ceramic membranes based on mixed ionic and electronic conducting (MIEC) perovskite-structured oxides have received many attentions for their applications for air separation, or as a membrane reactor for methane oxidation. While numerous perovskite oxide materials have been explored over the past two decades; there are hardly any materials with sufficient practical economic value and performance for large scale applications, which justifies continuing the search for new materials. The main purposes of this thesis study are: (1) develop several novel SrCoO3-delta based MIEC oxides, SrCoCo1-xMxO3-delta, based on which membranes exhibit excellent oxygen permeability; (2) investigate the significant effects of the species and concentration of the dopants M (metal ions with fixed valences) on the various properties of these membranes; (3) investigate the significant effects of sintering temperature on the microstructures and performance of oxygen permeation membranes; and (4) study the performance of oxygen permeation membranes as a membrane reactor for methane combustion. To stabilize the cubic phase structure of the SrCoO3-delta oxide, various amounts of scandium was doped into the B-site of SrCoO 3-delta to form a series of new perovskite oxides, SrScxCoCo 1-xO3-delta (SSCx, x = 0-0.7). The significant effects of scandium-doping concentration on the phase structure, electrical conductivity, sintering performance, thermal and structural stability, cathode performance, and oxygen permeation performance of the SSCx membranes, were systematically studied. Also for a more in-depth understanding, the rate determination steps for the oxygen transport process through the membranes were clarified by theoretical and experimental investigation. It was found that only a minor amount of scandium (5 mol%) doping into the B-site of SrCoO3-delta can effectively stabilize the cubic phase structure, and thus significantly improve the electrical conductivity and

Evaluation of covalency of ions in lead-free perovskite-type dielectric oxides

Directory of Open Access Journals (Sweden)

Naohisa Takesue

2017-10-01

Full Text Available Electronic states of ions in lead-free perovskite-type dielectric oxides have been investigated with a first-principle cluster calculation. For this calculation a double-perovskite cluster model based upon the simple cubic ABO3 was used; A and B are both the cations, and O is the oxygen anion. Systematic variations of ionic species for A and B, and lengths of the model cube edge were given to the model. Results of charge transfers of the ions show that their magnitudes depend on the edge length; the lager length leads to the higher transfer magnitude. This tendency implies spatial tolerance of the ions to the clusters, and are expected to correlate with electric polarizability and dipole reversibility of this kind of oxides. The density of states and the overlap population indicate that the higher cation valence causes the higher covalency of the anions. Considering all results together provides us an idea to obtain lead-free high-performance ferroelectrics, as high as the lead-based solid solutions.

On the Defect Chemistry, Electrical Properties and Electrochemical Performances As Solid Oxide Fuel Cell Cathode Materials of New La-(Sr/Vac)-Co-Ti-O Perovskites

DEFF Research Database (Denmark)

García-Alvarado, Flaviano; Gómez-Pérez, Alejandro; Pérez-Flores, Juan Carlos

2015-01-01

Perovskite-type oxides are well known materials that have been proposed as electrodes and electrolytes for solid oxide fuel cells (SOFCs). The structure, which is referred to the ABO3 stoichiometry, can accommodate many different transition metal ions in the B-site; its electronic conductivity...... materials with valuable properties for SOFCs. We have analysed the effect of La3+ by Sr2+ substitution and vacancies creation in several double perovskites, La2MTiO6 (M = Co, Ni, Cu). Defect chemistry and electrical behavior have been investigated in order to unveil the nature of charge carriers....... Electrochemical performances have been assessed through polarization resistance measurements. In this communication we present the results regarding La2SrTiO6 perovskites. La/Sr substitution in La2-xSrxCoTiO6-δ produces Co2+ to Co3+ oxidation while vacancies in La2-xCoTiO6-δ yield Co2+ oxidation for low A...

Comparative DFT+U and HSE Study of the Oxygen Evolution Electrocatalysis on Perovskite Oxides

DEFF Research Database (Denmark)

Tripkovic, Vladimir; Hansen, Heine Anton; García Lastra, Juan Maria

2018-01-01

+U functional and the amount of exact exchange, α, in the hybrid HSE functional on the structural stability, catalytic activity and electronic conductivity of pure and doped perovskite oxides, ABO3, (A = La, Ca, Sr and Ba, B = Cr, Mn, Fe, Co, Ni and Cu) for oxygen evolution electrocatalysis. We find a strong...

Conducting tin halides with a layered organic-based perovskite structure

Science.gov (United States)

Mitzi, D. B.; Feild, C. A.; Harrison, W. T. A.; Guloy, A. M.

1994-06-01

THE discovery1 of high-temperature superconductivity in layered copper oxide perovskites has generated considerable fundamental and technological interest in this class of materials. Only a few other examples of conducting layered perovskites are known; these are also oxides such as (La1-xSrx)n+1 MnnO3n+1 (ref. 2), Lan+1NinO3n+1 (ref. 3) and Ban+1PbnO3n+1 (ref. 4), all of which exhibit a trend from semiconducting to metallic behaviour with increasing number of perovskite layers (n). We report here the synthesis of a family of organic-based layered halide perovskites, (C4H9NH3)2(CH3NH3)n-1Snnl3n+1 which show a similar transition from semiconducting to metallic behaviour with increasing n. The incorporation of an organic modulation layer between the conducting tin iodide sheets potentially provides greater flexibility for tuning the electrical properties of the perovskite sheets, and we suggest that such an approach will prove valuable for exploring the range of transport properties possible with layered perovskites.

CaCu3Ti4O12: A Bifunctional Perovskite Electrocatalyst for Oxygen Evolution and Reduction Reaction in Alkaline Medium

International Nuclear Information System (INIS)

Kushwaha, H.S.; Halder, Aditi; Thomas, P.; Vaish, Rahul

2017-01-01

Highlights: •A cost effective double perovskite CaCu 3 Ti 4 O 12 have been synthesized using oxalate precursor method. •CCTO electrocatalyst exhibit enhanced bifunctional electrocatalytic activities. •CCTO electrocatalyst have lower overpotential and higher mass activity as compared to noble metal oxide and well-known perovskite catalysts. •Electrochemical impedance spectroscopy investigations of oxygen reactions on perovskite surfaces. -- Abstract: Perovskite oxides are prominent materials as the bifunctional electrocatalysts for both oxygen reduction/evolution reactions (ORR/OER) for the electrochemical energy conversion and storage using regenerative fuel cells and rechargeable metal-air batteries. In this work, a quadruple perovskite CaCu 3 Ti 4 O 12 has been synthesized oxalate precursor route. X-ray diffraction pattern shows phase purity of the synthesized electrocatalyst. The synthesized CCTO electrocatalyst have crystallite size of 26 nm. Electrochemical investigations reveal that CCTO exhibit efficient catalytic activity. More interestingly, an extremely high OER activity is observed for CCTO electrocatalysts which is found superior than similar class of perovskites. Additionally, CCTO shows efficient ORR activity with an onset potential of 0.83 V which is better than that of Pt/C catalyst (≈0.94 V). These results demonstrate the significant potential of CCTO perovskite as a bifunctional electrode material for alkaline fuel cells and metal-air batteries.

Relativistic GW calculations on CH3NH3PbI3 and CH3NH3SnI3 perovskites for solar cell applications.

Science.gov (United States)

Umari, Paolo; Mosconi, Edoardo; De Angelis, Filippo

2014-03-26

Hybrid AMX3 perovskites (A = Cs, CH3NH3; M = Sn, Pb; X = halide) have revolutionized the scenario of emerging photovoltaic technologies, with very recent results demonstrating 15% efficient solar cells. The CH3NH3PbI3/MAPb(I(1-x)Cl(x))3 perovskites have dominated the field, while the similar CH3NH3SnI3 has not been exploited for photovoltaic applications. Replacement of Pb by Sn would facilitate the large uptake of perovskite-based photovoltaics. Despite the extremely fast progress, the materials electronic properties which are key to the photovoltaic performance are relatively little understood. Density Functional Theory electronic structure methods have so far delivered an unbalanced description of Pb- and Sn-based perovskites. Here we develop an effective GW method incorporating spin-orbit coupling which allows us to accurately model the electronic, optical and transport properties of CH3NH3SnI3 and CH3NH3PbI3, opening the way to new materials design. The different CH3NH3SnI3 and CH3NH3PbI3 electronic properties are discussed in light of their exploitation for solar cells, and found to be dominantly due to relativistic effects. These effects stabilize the CH3NH3PbI3 material towards oxidation, by inducing a deeper valence band edge. Relativistic effects, however, also increase the material band-gap compared to CH3NH3SnI3, due to the valence band energy downshift (~0.7 eV) being only partly compensated by the conduction band downshift (~0.2 eV).

All-perovskite transparent high mobility field effect using epitaxial BaSnO3 and LaInO3

Directory of Open Access Journals (Sweden)

Useong Kim

2015-03-01

Full Text Available We demonstrate an all-perovskite transparent heterojunction field effect transistor made of two lattice-matched perovskite oxides: BaSnO3 and LaInO3. We have developed epitaxial LaInO3 as the gate oxide on top of BaSnO3, which were recently reported to possess high thermal stability and electron mobility when doped with La. We measured the dielectric properties of the epitaxial LaInO3 films, such as the band gap, dielectric constant, and the dielectric breakdown field. Using the LaInO3 as a gate dielectric and the La-doped BaSnO3 as a channel layer, we fabricated field effect device structure. The field effect mobility of such device was higher than 90 cm2 V−1 s−1, the on/off ratio was larger than 107, and the subthreshold swing was 0.65 V dec−1. We discuss the possible origins for such device performance and the future directions for further improvement.

High-throughput DFT calculations of formation energy, stability and oxygen vacancy formation energy of ABO3 perovskites

Science.gov (United States)

Emery, Antoine A.; Wolverton, Chris

2017-10-01

ABO3 perovskites are oxide materials that are used for a variety of applications such as solid oxide fuel cells, piezo-, ferro-electricity and water splitting. Due to their remarkable stability with respect to cation substitution, new compounds for such applications potentially await discovery. In this work, we present an exhaustive dataset of formation energies of 5,329 cubic and distorted perovskites that were calculated using first-principles density functional theory. In addition to formation energies, several additional properties such as oxidation states, band gap, oxygen vacancy formation energy, and thermodynamic stability with respect to all phases in the Open Quantum Materials Database are also made publicly available. This large dataset for this ubiquitous crystal structure type contains 395 perovskites that are predicted to be thermodynamically stable, of which many have not yet been experimentally reported, and therefore represent theoretical predictions. The dataset thus opens avenues for future use, including materials discovery in many research-active areas.

Structural properties of perovskite films on zinc oxide nanoparticles-reduced graphene oxide (ZnO-NPs/rGO) prepared by electrophoretic deposition technique

Science.gov (United States)

Bahtiar, Ayi; Nurazizah, Euis Siti; Latiffah, Efa; Risdiana, Furukawa, Yukio

2018-02-01

Perovskite solar cells highly believed as next generation solar cells to replace currently available inorganic silicon solar cells due to their high power conversion efficiency and easy processing to thin films using solution processing techniques. Performance and stability, however still need to be improved for mass production and widely used for public electricity generation. Perovskite solar cells are commonly deposited on Titanium Dioxide (TiO2) film as an effective electron transport layer (ETL). We used Zinc Oxide nanoparticles (ZnO-NPs) as ETL in perovskite solar cells due to the low temperature required for crystallization and can be formed into different shapes of nanostructures. However, perovskite film can easily degrade into insulating lead iodide due to deprotonation of the methylammoniumcation at the surface of ZnO-NPs, in particular when it stored in ambient air with high relative humidity. The degradation of perovskite layer is therefore needed to be overcome. Here, we capped ZnO-NPs with reduced graphene oxide (rGO) to overcome the degradation of perovskite film where ZnO-NPs is synthesized by sol-gel method. The average nanoparticle size of ZnO is 15 nm. ZnO-NPs and ZnO-NPs-rGO films are prepared using electrophoretic deposition technique, which can produce large area with good homogeneity and high reproducibility. The stability of perovskite layer can significantly be improved by capping ZnO with rGO, which is indicated by absence of color change of perovskite after storage for 5 (five) days in ambient air with relative humidity above 95%. Moreover, the X-Ray Diffaction peaks of perovskite film are more preserved when deposited on ZnO/rGO film than using only ZnO film. We strongly believe, by capping ZnO film with rGO, both the performance and stability of perovskite solar cells can be improved significantly.

Crystal Structure Formation of CH3NH3PbI3-xClx Perovskite

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Shiqiang Luo

2016-02-01

Full Text Available Inorganic-organic hydride perovskites bring the hope for fabricating low-cost and large-scale solar cells. At the beginning of the research, two open questions were raised: the hysteresis effect and the role of chloride. The presence of chloride significantly improves the crystallization and charge transfer property of the perovskite. However, though the long held debate over of the existence of chloride in the perovskite seems to have now come to a conclusion, no prior work has been carried out focusing on the role of chloride on the electronic performance and the crystallization of the perovskite. Furthermore, current reports on the crystal structure of the perovskite are rather confusing. This article analyzes the role of chloride in CH3NH3PbI3-xClx on the crystal orientation and provides a new explanation about the (110-oriented growth of CH3NH3PbI3 and CH3NH3PbI3-xClx.

Ionic conductivity in new perovskite type oxides: NaAZrMO{sub 6} (A = Ca or Sr; M = Nb or Ta)

Energy Technology Data Exchange (ETDEWEB)

Rajendran, Deepthi N.; Ravindran Nair, K. [Regional Research Laboratory (CSIR), Trivandrum 695019 (India); Prabhakar Rao, P. [Regional Research Laboratory (CSIR), Trivandrum 695019 (India)], E-mail: padala_rao@yahoo.com; Sibi, K.S.; Koshy, Peter [Regional Research Laboratory (CSIR), Trivandrum 695019 (India); Vaidyan, V.K. [Department of Physics, University of Kerala, Trivandrum 695581 (India)

2008-06-15

New oxides of the type, NaAZrMO{sub 6} (M = Ca or Sr; M = Nb or Ta), have been prepared by the solid-state reaction technique. Phase identification by powder X-ray diffraction (XRD) shows that NaCaZrMO{sub 6} has orthorhombic perovskite type structure (Pnma) and NaSrZrMO{sub 6} has cubic perovskite type structure (Pm3m). The grain morphology observation by scanning electron microscope (SEM) shows well-sintered grains. ac impedance spectra and electrical conductivity measurements in air, oxygen and nitrogen atmospheres indicate that they are probable oxide ion conductors with ionic conductivities of the order of 10{sup -3} S cm{sup -1} at 750 deg. C.

Properties of perovskites and other oxides

CERN Document Server

Müller, K Alex

2010-01-01

In this book some 50 papers published by K A Muller as author or co-author over several decades, amplified by more recent work mainly by T W Kool with collaborators, are reproduced. The main subject is Electron Paramagnetic Resonance (EPR) applied to the study of perovskites and other oxides with related subjects. This wealth of papers is organized into eleven chapters, each with an introductory text written in the light of current understanding. The contributions of the first author on structural phase transitions have been immense, and because K A Muller and J C Fayet have published a review

A family of oxide ion conductors based on the ferroelectric perovskite Na0.5Bi0.5TiO3.

Science.gov (United States)

Li, Ming; Pietrowski, Martha J; De Souza, Roger A; Zhang, Huairuo; Reaney, Ian M; Cook, Stuart N; Kilner, John A; Sinclair, Derek C

2014-01-01

Oxide ion conductors find important technical applications in electrochemical devices such as solid-oxide fuel cells (SOFCs), oxygen separation membranes and sensors. Na0.5Bi0.5TiO3 (NBT) is a well-known lead-free piezoelectric material; however, it is often reported to possess high leakage conductivity that is problematic for its piezo- and ferroelectric applications. Here we report this high leakage to be oxide ion conduction due to Bi-deficiency and oxygen vacancies induced during materials processing. Mg-doping on the Ti-site increases the ionic conductivity to ~0.01 S cm(-1) at 600 °C, improves the electrolyte stability in reducing atmospheres and lowers the sintering temperature. This study not only demonstrates how to adjust the nominal NBT composition for dielectric-based applications, but also, more importantly, gives NBT-based materials an unexpected role as a completely new family of oxide ion conductors with potential applications in intermediate-temperature SOFCs and opens up a new direction to design oxide ion conductors in perovskite oxides.

Electronic structures near surfaces of perovskite type oxides

International Nuclear Information System (INIS)

Hara, Toru

2005-01-01

This work is intended to draw attention to the origin of the electronic structures near surfaces of perovskite type oxides. Deep states were observed by ultraviolet photoelectron spectroscopic measurements. The film thickness dependent electronic structures near surfaces of (Ba 0.5 Sr 0.5 )TiO 3 thin films were observed. As for the 117-308 nm thick (Ba 0.5 Sr 0.5 )TiO 3 films, deep states were lying at 0.20, 0.55, and 0.85 eV below the quasi-fermi level, respectively. However, as for the 40 nm thick (Ba 0.5 Sr 0.5 )TiO 3 film, the states were overlapped. The A-site doping affected electronic structures near surfaces of SrTiO 3 single crystals. No evolution of deep states in non-doped SrTiO 3 single crystal was observed. However, the evolution of deep states in La-doped SrTiO 3 single crystal was observed

Investigation on CO catalytic oxidation reaction kinetics of faceted perovskite nanostructures loaded with Pt

KAUST Repository

Yin, S. M.

2017-01-18

Perovskite lead titanate nanostructures with specific {111}, {100} and {001} facets exposed, have been employed as supports to investigate the crystal facet effect on the growth and CO catalytic activity of Pt nanoparticles. The size, distribution and surface chemical states of Pt on the perovskite supports have been significantly modified, leading to a tailored conversion temperature and catalytic kinetics towards CO catalytic oxidation.

Investigation on CO catalytic oxidation reaction kinetics of faceted perovskite nanostructures loaded with Pt

KAUST Repository

Yin, S. M.; Duanmu, J. J.; Zhu, Yihan; Yuan, Y. F.; Guo, S. Y.; Yang, J. L.; Ren, Z. H.; Han, G. R.

2017-01-01

Perovskite lead titanate nanostructures with specific {111}, {100} and {001} facets exposed, have been employed as supports to investigate the crystal facet effect on the growth and CO catalytic activity of Pt nanoparticles. The size, distribution and surface chemical states of Pt on the perovskite supports have been significantly modified, leading to a tailored conversion temperature and catalytic kinetics towards CO catalytic oxidation.

Al2 O3 Underlayer Prepared by Atomic Layer Deposition for Efficient Perovskite Solar Cells.

Science.gov (United States)

Zhang, Jinbao; Hultqvist, Adam; Zhang, Tian; Jiang, Liangcong; Ruan, Changqing; Yang, Li; Cheng, Yibing; Edoff, Marika; Johansson, Erik M J

2017-10-09

Perovskite solar cells, as an emergent technology for solar energy conversion, have attracted much attention in the solar cell community by demonstrating impressive enhancement in power conversion efficiencies. However, the high temperature and manually processed TiO 2 underlayer prepared by spray pyrolysis significantly limit the large-scale application and device reproducibility of perovskite solar cells. In this study, lowtemperature atomic layer deposition (ALD) is used to prepare a compact Al 2 O 3 underlayer for perovskite solar cells. The thickness of the Al 2 O 3 layer can be controlled well by adjusting the deposition cycles during the ALD process. An optimal Al 2 O 3 layer effectively blocks electron recombination at the perovskite/fluorine-doped tin oxide interface and sufficiently transports electrons through tunneling. Perovskite solar cells fabricated with an Al 2 O 3 layer demonstrated a highest efficiency of 16.2 % for the sample with 50 ALD cycles (ca. 5 nm), which is a significant improvement over underlayer-free PSCs, which have a maximum efficiency of 11.0 %. Detailed characterization confirms that the thickness of the Al 2 O 3 underlayer significantly influences the charge transfer resistance and electron recombination processes in the devices. Furthermore, this work shows the feasibility of using a high band-gap semiconductor such as Al 2 O 3 as the underlayer in perovskite solar cells and opens up pathways to use ALD Al 2 O 3 underlayers for flexible solar cells. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

PbBr3 Perovskite Crystals

KAUST Repository

Wei, Tzu-Chiao

2018-01-31

Researchers have recently revealed that hybrid lead halide perovskites exhibit ferroelectricity, which is often associated with other physical characteristics, such as a large nonlinear optical response. In this work, the nonlinear optical properties of single crystal inorganic–organic hybrid perovskite CH3NH3PbBr3 are studied. By exciting the material with a 1044 nm laser, strong two-photon absorption-induced photoluminescence in the green spectral region is observed. Using the transmission open-aperture Z-scan technique, the values of the two-photon absorption coefficient are observed to be 8.5 cm GW−1, which is much higher than that of standard two-photon absorbing materials that are industrially used in nonlinear optical applications, such as lithium niobate (LiNbO3), LiTaO3, KTiOPO4, and KH2PO4. Such a strong two-photon absorption effect in CH3NH3PbBr3 can be used to modulate the spectral and spatial profiles of laser pulses, as well as to reduce noise, and can be used to strongly control the intensity of incident light. In this study, the superior optical limiting, pulse reshaping, and stabilization properties of CH3NH3PbBr3 are demonstrated, opening new applications for perovskites in nonlinear optics.

Development of Perovskite-Type Materials for Thermoelectric Application

Directory of Open Access Journals (Sweden)

Tingjun Wu

2018-06-01

Full Text Available Oxide perovskite materials have a long history of being investigated for thermoelectric applications. Compared to the state-of-the-art tin and lead chalcogenides, these perovskite compounds have advantages of low toxicity, eco-friendliness, and high elemental abundance. However, because of low electrical conductivity and high thermal conductivity, the total thermoelectric performance of oxide perovskites is relatively poor. Variety of methods were used to enhance the TE properties of oxide perovskite materials, such as doping, inducing oxygen vacancy, embedding crystal imperfection, and so on. Recently, hybrid perovskite materials started to draw attention for thermoelectric application. Due to the low thermal conductivity and high Seebeck coefficient feature of hybrid perovskites materials, they can be promising thermoelectric materials and hold the potential for the application of wearable energy generators and cooling devices. This mini-review will build a bridge between oxide perovskites and burgeoning hybrid halide perovskites in the research of thermoelectric properties with an aim to further enhance the relevant performance of perovskite-type materials.

The efficiency limit of CH3NH3PbI3 perovskite solar cells

International Nuclear Information System (INIS)

Sha, Wei E. I.; Ren, Xingang; Chen, Luzhou; Choy, Wallace C. H.

2015-01-01

With the consideration of photon recycling effect, the efficiency limit of methylammonium lead iodide (CH 3 NH 3 PbI 3 ) perovskite solar cells is predicted by a detailed balance model. To obtain convincing predictions, both AM 1.5 spectrum of Sun and experimentally measured complex refractive index of perovskite material are employed in the detailed balance model. The roles of light trapping and angular restriction in improving the maximal output power of thin-film perovskite solar cells are also clarified. The efficiency limit of perovskite cells (without the angular restriction) is about 31%, which approaches to Shockley-Queisser limit (33%) achievable by gallium arsenide (GaAs) cells. Moreover, the Shockley-Queisser limit could be reached with a 200 nm-thick perovskite solar cell, through integrating a wavelength-dependent angular-restriction design with a textured light-trapping structure. Additionally, the influence of the trap-assisted nonradiative recombination on the device efficiency is investigated. The work is fundamentally important to high-performance perovskite photovoltaics

Spontaneous and continuous anti-virus disinfection from nonstoichiometric perovskite-type lanthanum manganese oxide

Directory of Open Access Journals (Sweden)

Ding Weng

2015-06-01

Full Text Available Viral pathogens have threatened human being׳s health for a long time, from periodically breakout flu epidemics to recent rising Ebola virus disease. Herein, we report a new application of nonstoichiometric Perovskite-type LaxMnO3 (x=1, 0.95, and 0.9 compounds in spontaneous and continuous disinfection of viruses. Perovskite-type LaxMnO3 (x=1, 0.95, and 0.9 is well-known for their catalytic properties involving oxidization reactions, which are usually utilized as electrodes in fuel cells. By utilizing superb oxidative ability of LaxMnO3 (x=1, 0.95, and 0.9, amino acid residues in viral envelope proteins are oxidized, thus envelope proteins are denatured and infectivity of the virus is neutralized. It is of great importance that this process does not require external energy sources like light or heat. The A/PR/8/34H1N1 influenza A virus (PR8 was employed as the sample virus in our demonstration, and high-throughput disinfections were observed. The efficiency of disinfection was correlated to oxidative ability of LaxMnO3 (x=1, 0.95, and 0.9 by EPR and H2-TPR results that La0.9MnO3 had the highest oxidative ability and correspondingly gave out the best disinfecting results within three nonstoichiometric compounds. Moreover, denaturation of hemagglutinin and neuraminidase, the two key envelope proteins of influenza A viruses, was demonstrated by HA unit assay with chicken red blood cells and NA fluorescence assay, respectively. This unique disinfecting application of La0.9MnO3 is considered as a great make up to current sterilizing methods especially to photocatalyst based disinfectants and can be widely applied to cut-off spread routes of viruses, either viral aerosol or contaminated fluid, and help in controlling the possibly upcoming epidemics like flus and hemorrhagic fever.

Thermochemical and thermophysical properties of alkaline-earth perovskites

International Nuclear Information System (INIS)

Yamanaka, Shinsuke; Kurosaki, Ken; Maekawa, Takuji; Matsuda, Tetsushi; Kobayashi, Shin-ichi; Uno, Masayoshi

2005-01-01

In order to contribute to safety evaluation of high burnup oxide fuels, we studied the thermochemical and thermophysical properties of alkaline-earth perovskites known as oxide inclusions. Polycrystalline samples of alkaline-earth perovskites, BaUO 3 , BaZrO 3 , BaCeO 3 , BaMoO 3 , SrTiO 3 , SrZrO 3 , SrCeO 3 , SrMoO 3 , SrHfO 3 and SrRuO 3 , were prepared and the thermal expansion coefficient, melting temperature, elastic moduli, Debye temperature, microhardness, heat capacity, and thermal conductivity were measured. The relationship between some physical properties was studied

Topotactic phase transformation of the brownmillerite SrCoO2.5 to the perovskite SrCoO3- δ.

Science.gov (United States)

Jeen, H; Choi, W S; Freeland, J W; Ohta, H; Jung, C U; Lee, H N

2013-07-19

Pulsed laser epitaxy of brownmillerite SrCoO2.5 thin films and their phase transformation to the perovskite SrCoO3-δ are investigated. While the direct growth of the fully oxidized perovskite films is found to be an arduous task, filling some of oxygen vacancies into SrCoO2.5 by topotactic oxidation accompanies systematic evolution of electronic, magnetic, and thermoelectric properties, useful for many information and energy technologies. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

All-perovskite transparent high mobility field effect using epitaxial BaSnO{sub 3} and LaInO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Kim, Useong; Park, Chulkwon; Kim, Young Mo; Ju, Chanjong; Park, Jisung; Char, Kookrin, E-mail: kchar@phya.snu.ac.kr [Institute of Applied Physics, Department of Physics and Astronomy, Seoul National University, Seoul 151-747 (Korea, Republic of); Ha, Taewoo; Kim, Jae Hoon [Department of Physics, Yonsei University, Seoul 120-749 (Korea, Republic of); Kim, Namwook; Yu, Jaejun [Center for Theoretical Physics, Department of Physics and Astronomy, Seoul National University, Seoul 151-747 (Korea, Republic of)

2015-03-01

We demonstrate an all-perovskite transparent heterojunction field effect transistor made of two lattice-matched perovskite oxides: BaSnO{sub 3} and LaInO{sub 3}. We have developed epitaxial LaInO{sub 3} as the gate oxide on top of BaSnO{sub 3}, which were recently reported to possess high thermal stability and electron mobility when doped with La. We measured the dielectric properties of the epitaxial LaInO{sub 3} films, such as the band gap, dielectric constant, and the dielectric breakdown field. Using the LaInO{sub 3} as a gate dielectric and the La-doped BaSnO{sub 3} as a channel layer, we fabricated field effect device structure. The field effect mobility of such device was higher than 90 cm{sup 2} V{sup −1} s{sup −1}, the on/off ratio was larger than 10{sup 7}, and the subthreshold swing was 0.65 V dec{sup −1}. We discuss the possible origins for such device performance and the future directions for further improvement.

High performance photodetector based on 2D CH3NH3PbI3 perovskite nanosheets

International Nuclear Information System (INIS)

Li, Pengfei; Shivananju, B N; Li, Shaojuan; Bao, Qiaoliang; Zhang, Yupeng

2017-01-01

In this work, a high performance vertical-type photodetector based on two-dimensional (2D) CH 3 NH 3 PbI 3 perovskite nanosheets was fabricated. The low trap density of the perovskite nanosheets and their short carrier diffusion distance result in a significant performance enhancement of the perovskite-based photodetector. The photoresponsivity of this vertical-type photodetector is as high as 36 mA W −1 at visible wavelength, which is much better than traditional perovskite photodetectors (0.34 mA W −1 ). Compared with traditional planar-type perovskite-based photodetectors, this vertical-type photodetector also shows the advantages of low-voltage operation and large responsivity. These results may pave the way for exploiting high performance perovskite-based photodetectors with an ingenious device design. (paper)

Electrocatalysis of oxygen electrode reactions by some perovskite oxides based on lanthanum manganate

International Nuclear Information System (INIS)

Raj, I.A.; Rao, K.V.; Venkatesan, V.K.

1984-01-01

In recent years, several electrocatalyst materials based on platinum, silver, tungsten bronzes, spinels, metal chelates, etc., have been studied for use as oxygen diffusion electrodes in alkaline fuel cells, secondary metal-air batteries, and water electrolyzers. However, virtually all catalysts of commercial importance are semiconducting transition metal oxides. The various oxide catalysts that have been studied can be grouped under mixed oxides, spinels, and perovskites

Perovskites synthesis for solid oxide fuel cells; Sintese de perovsquitas para celulas a combustivel de oxido solido

Energy Technology Data Exchange (ETDEWEB)

Soares, Sibelle F.C.X.; Melo, Dulce M.A.; Pimentel, Patricia M.; Melo, Marcus A. Freitas; Martinelli, Daniele M.H. [Universidade Federal do Rio Grande do Norte (UFRN), Natal, RN (Brazil). Dept. de Quimica]. E-mail: sibelle.cunha@gmail

2008-07-01

This work aims to study on the obtaining powders of lanthanum manganite oxides with partial substitution of La with strontium at 20% for the application as a cathode for solid oxide fuel cell, through a route of synthesis that are similar to the Pechini method, in which gelatin replaces the ethylene glycol as polymerization agent. The method highlights itself due to its simplicity, low cost and capability to obtain crystalline powders with the high purity and good stoichiometric control. The perovskite obtained were characterized by thermogravimetric analysis, X ray diffraction, electronic scanning microscopy and the superficial area by BET method. The deposition of the perovskite on electrolyte/anode system was done through the spin coating technique. The methodology used for the perovskite synthesis was very efficient, considering a monophasic material was obtained and with characteristics that were proper to the application as electrode to solid oxide fuel cells. (author)

Tilts, dopants, vacancies and non-stoichiometry: Understanding and designing the properties of complex solid oxide perovskites from first principles

Science.gov (United States)

Bennett, Joseph W.

Perovskite oxides of formula ABO3 have a wide range of structural, electrical and mechanical properties, making them vital materials for many applications, such as catalysis, ultrasound machines and communication devices. Perovskite solid solutions with high piezoelectric response, such as ferroelectrics, are of particular interest as they can be employed as sensors in SONAR devices. Ferroelectric materials are unique in that their chemical and electrical properties can be non-invasively and reversibly changed, by switching the bulk polarization. This makes ferroelectrics useful for applications in non-volatile random access memory (NVRAM) devices. Perovskite solid solutions with a lower piezoelectric response than ferroelectrics are important for communication technology, as they function well as electroceramic capacitors. Also of interest is how these materials act as a component in a solid oxide fuel cell, as they can function as an efficient source of energy. Altering the chemical composition of these solid oxide materials offers an opportunity to change the desired properties of the final ceramic, adding a degree of flexibility that is advantageous for a variety of applications. These solid oxides are complex, sometimes disordered systems that are a challenge to study experimentally. However, as it is their complexity which produces favorable properties, highly accurate modeling which captures the essential features of the disordered structure is necessary to explain the behavior of current materials and predict favorable compositions for new materials. Methodological improvements and faster computer speeds have made first-principles and atomistic calculations a viable tool for understanding these complex systems. Offering a combination of accuracy and computational speed, the density functional theory (DFT) approach can reveal details about the microscopic structure and interactions of complex systems. Using DFT and a combination of principles from both

Enhancing Efficiency of Perovskite Solar Cells via Surface Passivation with Graphene Oxide Interlayer.

Science.gov (United States)

Li, Hao; Tao, Leiming; Huang, Feihong; Sun, Qiang; Zhao, Xiaojuan; Han, Junbo; Shen, Yan; Wang, Mingkui

2017-11-08

Perovskite solar cells have been demonstrated as promising low-cost and highly efficient next-generation solar cells. Enhancing V OC by minimization the interfacial recombination kinetics can further improve device performance. In this work, we for the first time reported on surface passivation of perovskite layers with chemical modified graphene oxides, which act as efficient interlayer to reduce interfacial recombination and enhance hole extraction as well. Our modeling points out that the passivation effect mainly comes from the interaction between functional group (4-fluorophenyl) and under-coordinated Pb ions. The resulting perovskite solar cells achieved high efficient power conversion efficiency of 18.75% with enhanced high open circuit V OC of 1.11 V. Ultrafast spectroscopy, photovoltage/photocurrent transient decay, and electronic impedance spectroscopy characterizations reveal the effective passivation effect and the energy loss mechanism. This work sheds light on the importance of interfacial engineering on the surface of perovskite layers and provides possible ways to improve device efficiency.

Flexible high power-per-weight perovskite solar cells with chromium oxide-metal contacts for improved stability in air

Science.gov (United States)

Kaltenbrunner, Martin; Adam, Getachew; Głowacki, Eric Daniel; Drack, Michael; Schwödiauer, Reinhard; Leonat, Lucia; Apaydin, Dogukan Hazar; Groiss, Heiko; Scharber, Markus Clark; White, Matthew Schuette; Sariciftci, Niyazi Serdar; Bauer, Siegfried

2015-10-01

Photovoltaic technology requires light-absorbing materials that are highly efficient, lightweight, low cost and stable during operation. Organolead halide perovskites constitute a highly promising class of materials, but suffer limited stability under ambient conditions without heavy and costly encapsulation. Here, we report ultrathin (3 μm), highly flexible perovskite solar cells with stabilized 12% efficiency and a power-per-weight as high as 23 W g-1. To facilitate air-stable operation, we introduce a chromium oxide-chromium interlayer that effectively protects the metal top contacts from reactions with the perovskite. The use of a transparent polymer electrode treated with dimethylsulphoxide as the bottom layer allows the deposition--from solution at low temperature--of pinhole-free perovskite films at high yield on arbitrary substrates, including thin plastic foils. These ultra-lightweight solar cells are successfully used to power aviation models. Potential future applications include unmanned aerial vehicles--from airplanes to quadcopters and weather balloons--for environmental and industrial monitoring, rescue and emergency response, and tactical security applications.

LaMn1-xFe xO3 and LaMn0.1-xFe0.90Mo x O3 perovskites: synthesis, characterization and catalytic activity in H2O2 reactions

Directory of Open Access Journals (Sweden)

Fabiano Magalhães

2008-09-01

Full Text Available In this work two perovskites were prepared: LaMn1-xFe xO3, and LaMn0.1-x Fe0.90Mo xO3. XRD and Mössbauer spectroscopy suggest the formation of pure phase perovskite with the incorporation of Fe and Mo in the structure. The catalytic activity of these materials was studied in two reactions with H2O2: the decomposition to O2, and the oxidation of the model organic contaminant methylene blue. The perovskite composition strongly affects the catalytic activity, while Fe decreases the H2O2 decomposition Mo strongly improves dye oxidation.

Polarized emission from CsPbX3 perovskite quantum dots

Science.gov (United States)

Wang, Dan; Wu, Dan; Dong, Di; Chen, Wei; Hao, Junjie; Qin, Jing; Xu, Bing; Wang, Kai; Sun, Xiaowei

2016-06-01

Compared to organic/inorganic hybrid perovskites, full inorganic perovskite quantum dots (QDs) exhibit higher stability. In this study, full inorganic CsPbX3 (X = Br, I and mixed halide systems Br/I) perovskite QDs have been synthesized and interestingly, these QDs showed highly polarized photoluminescence which is systematically studied for the first time. Furthermore, the polarization of CsPbI3 was as high as 0.36 in hexane and 0.40 as a film. The CsPbX3 perovskite QDs with high polarization properties indicate that they possess great potential for application in new generation displays with wide colour gamut and low power consumption.Compared to organic/inorganic hybrid perovskites, full inorganic perovskite quantum dots (QDs) exhibit higher stability. In this study, full inorganic CsPbX3 (X = Br, I and mixed halide systems Br/I) perovskite QDs have been synthesized and interestingly, these QDs showed highly polarized photoluminescence which is systematically studied for the first time. Furthermore, the polarization of CsPbI3 was as high as 0.36 in hexane and 0.40 as a film. The CsPbX3 perovskite QDs with high polarization properties indicate that they possess great potential for application in new generation displays with wide colour gamut and low power consumption. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr01915c

Oxygen-perovskites with fourvalent rare earth metals

Energy Technology Data Exchange (ETDEWEB)

Kristen, H R

1978-01-01

The quadrivalent oxidation stage of the elements praseodymium and terbium can be easily prepared as oxides BaPrO/sub 3/ and BaTbO/sub 3/ crystallizing with the Perovskite structure. From this observation one has tried to stabilize the elements neodymium and dysprosium in the lanthanide series by including a host lattice with Perovskite structure. BaCeO/sub 3/, BaPrO/sub 3/, BaZrO/sub 3/, BaThO/sub 3/, BaTbO/sub 3/, SrCeO/sub 3/ and SrTbO/sub 3/ are used as host lattices. The preparation was carried out by simple annealing of the corresponding oxides with BaCO/sub 3/ or SrCO/sub 3/ in air at 1350/sup 0/C. X-ray and analytical characterization showed that Nd(IV) and Dy(IV) were partly taken up by a few host lattices.

Oxygen-perovskites with fourvalent rare earth metals

Energy Technology Data Exchange (ETDEWEB)

Kristen, H R

1978-01-01

The quadrivalent oxidation stage of the elements praseodymium and terbium can be easily prepared as oxides BaPrO/sub 3/ and BaTbO/sub 3/ crystallizing with the Perovskite structure. From this observation one has tried to stabilize the elements neodymium and dysprosium in the lanthanide series by including a host lattice with Perovskite structure. BaCeO/sub 3/, BaPrO/sub 3/, BaZrO/sub 3/, BaThO/sub 3/, BaTbO/sub 3/, SrCeO/sub 3/ and SrTbO/sub 3/ are used as host lattices. The preparation was carried out by simple annealing of the corresponding oxides with BaCO/sub 3/ or SrCO/sub 3/ in air at 1350/sup 0/C. X-ray and analytical characterization showed that Nd(IV) and Dy(IV) were partly taken up by a few host lattices. (orig./HBR).

Synthesis, structure and total conductivity of A-site doped LaTiO3−δ perovskites

International Nuclear Information System (INIS)

Bradha, M.; Hussain, S.; Chakravarty, Sujay; Amarendra, G.; Ashok, Anuradha

2015-01-01

Highlights: • A-site divalent alkaline earth metal doped LaTiO 3−δ perovskites were synthesised by sol–gel method. • Structural studies revealed no change in crystal symmetry but change in cell dimensions after doping. • After doping divalent cations in A-site, an enhancement in total conductivity was observed in LaTiO 3−δ . • Temperature dependent electrical property was observed in all synthesised perovskites. - Abstract: Oxygen deficient perovskites LaTiO 3−δ and La 0.8 A 0.2 TiO 3−δ (A = Ba, Sr, Ca) were synthesized by sol–gel method. The effect of divalent dopants on microstructure is investigated in detail using X-ray Diffraction (XRD) and Scanning Electron Microscopy (SEM). The oxidation states of La 3+ and Ti 3+ ions have been deduced using X-ray Photoelectron Spectroscopy (XPS). Impedance spectroscopy was used to analyze the total conductivity, an increase in conductivity was observed after doping in the A-site with divalent cations Ba, Ca and Sr. Among the investigated perovskites La 0.8 Ca 0.2 TiO 3−δ exhibited the maximum conductivity of 1.22 × 10 −2 S/cm in air atmosphere at 650 °C

Symmetry mismatch-driven perpendicular magnetic anisotropy for perovskite/brownmillerite heterostructures.

Science.gov (United States)

Zhang, Jing; Zhong, Zhicheng; Guan, Xiangxiang; Shen, Xi; Zhang, Jine; Han, Furong; Zhang, Hui; Zhang, Hongrui; Yan, Xi; Zhang, Qinghua; Gu, Lin; Hu, Fengxia; Yu, Richeng; Shen, Baogen; Sun, Jirong

2018-05-15

Grouping different transition metal oxides together by interface engineering is an important route toward emergent phenomenon. While most of the previous works focused on the interface effects in perovskite/perovskite heterostructures, here we reported on a symmetry mismatch-driven spin reorientation toward perpendicular magnetic anisotropy in perovskite/brownmillerite heterostructures, which is scarcely seen in tensile perovskite/perovskite heterostructures. We show that alternately stacking perovskite La 2/3 Sr 1/3 MnO 3 and brownmillerite LaCoO 2.5 causes a strong interface reconstruction due to symmetry discontinuity at interface: neighboring MnO 6 octahedra and CoO 4 tetrahedra at the perovskite/brownmillerite interface cooperatively relax in a manner that is unavailable for perovskite/perovskite interface, leading to distinct orbital reconstructions and thus the perpendicular magnetic anisotropy. Moreover, the perpendicular magnetic anisotropy is robust, with an anisotropy constant two orders of magnitude greater than the in-plane anisotropy of the perovskite/perovskite interface. The present work demonstrates the great potential of symmetry engineering in designing artificial materials on demand.

Structural and chemical reactivity modifications of a cobalt perovskite induced by Sr-substitution. An in situ XAS study

International Nuclear Information System (INIS)

Hueso, Jose L.; Holgado, Juan P.; Pereñíguez, Rosa; Gonzalez-DelaCruz, V.M.; Caballero, Alfonso

2015-01-01

LaCoO 3 and La 0.5 Sr 0.5 CoO 3−δ perovskites have been studied by in situ Co K-edge XAS. Although the partial substitution of La(III) by Sr(II) species induces an important increase in the catalytic oxidation activity and modifies the electronic state of the perovskite, no changes could be detected in the oxidation state of cobalt atoms. So, maintaining the electroneutrality of the perovskite requires the generation of oxygen vacancies in the network. The presence of these vacancies explains that the substituted perovskite is now much more reducible than the original LaCoO 3 perovskite. As detected by in situ XAS, after a consecutive reduction and oxidation treatment, the original crystalline structure of the LaCoO 3 perovskite is maintained, although in a more disordered state, which is not the case for the Sr doped perovskite. So, the La 0.5 Sr 0.5 CoO 3−δ perovskite submitted to the same hydrogen reduction treatment produces metallic cobalt, while as determined by in situ XAS spectroscopy the subsequent oxidation treatment yields a Co(III) oxide phase with spinel structure. Surprisingly, no Co(II) species are detected in this new spinel phase. - Highlights: • A Sr-substituted lanthanum cobalt perovskite has been prepared by spray pyrolysis. • It has been established that Co(III) cations are present in both perovskites. • LaCoO 3 is a less reducible phase than the substituted La 0.5 Sr 0.5 CoO 3−δ . • After reoxidation of reduced La 0.5 Sr 0.5 CoO 3−δ , a 100% Co(III) spinel is obtained

Mechanical control of magnetism in oxygen deficient perovskite SrTiO3.

Science.gov (United States)

Zhang, Yajun; Wang, Jie; Sahoo, M P K; Shimada, Takahiro; Kitamura, Takayuki

2015-10-28

Mechanical control of magnetism in perovskite oxides is an important and promising approach in spintronics. Based on the first-principles calculations, we demonstrate that a negative pressure leads to a great enhancement of magnetic moment in deficient SrTiO3 with oxygen vacancies, whereas a positive pressure results in the gradual disappearance of magnetism. Spin charge density, Bader charge analysis and electronic density of states successfully elucidate the origin and underlying physics of the enhancement and disappearance of magnetism. It is found that the split electronic states of dz(2), dyz and dzx in the 3d orbitals of Ti atoms remarkably contribute to the occupancy of majority spin states under negative pressure, which induces a large magnetic moment. Under positive pressure, however, the equal occupancy of both majority and minority t2g and eg states leads to the disappearance of magnetization. In addition, both negative and positive pressures can largely lower the vacancy formation enthalpy, suggesting that the oxygen vacancy is preferable with pressure. Our findings may provide a mechanism to achieve the pressure control of magnetization in nonmagnetic perovskite oxides.

High-pressure Moessbauer study of perovskite iron oxides

CERN Document Server

Kawakami, T; Sasaki, T; Kuzushita, K; Morimoto, S; Endo, S; Kawasaki, S; Takano, M

2002-01-01

The perovskite oxides CaFeO sub 3 and La sub 1 sub / sub 3 Sr sub 2 sub / sub 3 FeO sub 3 have been investigated by high-pressure sup 5 sup 7 Fe Moessbauer spectroscopy. The critical temperatures of the charge disproportionation (CD) and the magnetic order (MO) have been determined as a function of pressure. In CaFeO sub 3 the CD (2Fe sup 4 sup + -> Fe sup 3 sup + + Fe sup 5 sup +) occurs at an almost constant temperature of 290 K in the pressure range of 0-17 GPa. Above 20 GPa, the CD is suppressed. The MO temperature of 125 K at an ambient pressure rises to 300 K at 34 GPa. In La sub 1 sub / sub 3 Sr sub 2 sub / sub 3 FeO sub 3 the CD (3Fe sup 1 sup 1 sup / sup 3 sup + -> 2Fe sup 3 sup + + Fe sup 5 sup +) and the MO occur at the same temperature up to 21 GPa, which decreases from 207 to 165 K with increasing pressure. Above 25 GPa, however, the MO temperature rises above 400 K.

Dielectric relaxation in double perovskite oxide, Ho2CdTiO6

Indian Academy of Sciences (India)

Double perovskite oxide with general formula, A2B B O6 unit structure .... oclinic phase at room temperature with cell parameters a = 9·3858, b .... by the empirical relation ε∗ = ε∞ + ... portional to the resistance of that process, while the peak.

Room temperature three-photon pumped CH3NH3PbBr3 perovskite microlasers

Science.gov (United States)

Gao, Yisheng; Wang, Shuai; Huang, Can; Yi, Ningbo; Wang, Kaiyang; Xiao, Shumin; Song, Qinghai

2017-03-01

Hybrid lead halide perovskites have made great strides in next-generation light-harvesting and light emitting devices. Recently, they have also shown great potentials in nonlinear optical materials. Two-photon absorption and two-photon light emission have been thoroughly studied in past two years. However, the three-photon processes are rarely explored, especially for the laser emissions. Here we synthesized high quality CH3NH3PbBr3 perovskite microstructures with solution processed precipitation method and studied their optical properties. When the microstructures are pumped with intense 1240 nm lasers, we have observed clear optical limit effect and the band-to-band photoluminescence at 540 nm. By increasing the pumping density, whispering-gallery-mode based microlasers have been achieved from CH3NH3PbBr3 perovskite microplate and microrod for the first time. This work demonstrates the potentials of hybrid lead halide perovskites in nonlinear photonic devices.

Molecular Self-Assembly Fabrication and Carrier Dynamics of Stable and Efficient CH3 NH3 Pb(1-x) Snx I3 Perovskite Solar Cells.

Science.gov (United States)

Fan, Jiandong; Liu, Chong; Li, Hongliang; Zhang, Cuiling; Li, Wenzhe; Mai, Yaohua

2017-10-09

The Sn-based perovskite solar cells (PSCs) provide the possibility of swapping the Pb element toward developing toxic-free PSCs. Here, we innovatively employed a molecular self-assembly approach to obtain a series CH 3 NH 3 Pb (1-x) Sn x I 3 (0≤x≤1) perovskite thin films with full coverage. The optimized planar CH 3 NH 3 Pb 0.75 Sn 0.25 I 3 PSC with inverted structure was consequently realized with a maximum power conversion efficiency (PCE) over 14 %, which displayed a stabilized power output (SPO) over 12 % within 200 s at 0.6 V forward bias. Afterward, we investigated the factors that limited the efficiency improvement of hybrid Sn-Pb PSCs, and analyzed the possible reason of the hysteresis effect occurred even in the inverted structure cell. Particularly, the oxidation of hybrid Sn-Pb perovskite thin film was demonstrated to be the main reason that limited its further efficiency improvement. The imbalance of charge transport was intensified, which was associated with the increased hole defect-state density and decreased electron defect-state density after Sn was introduced. This study helps tackle the intractable issue regarding the toxic Pb in perovskite devices and is a step forward toward realizing lead-free PSCs with high stability and efficiency. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ternary Oxides in the TiO2-ZnO System as Efficient Electron-Transport Layers for Perovskite Solar Cells with Efficiency over 15.

Science.gov (United States)

Yin, Xiong; Xu, Zhongzhong; Guo, Yanjun; Xu, Peng; He, Meng

2016-11-02

Perovskite solar cells, which utilize organometal-halide perovskites as light-harvesting materials, have attracted great attention due to their high power conversion efficiency (PCE) and potentially low cost in fabrication. A compact layer of TiO 2 or ZnO is generally applied as electron-transport layer (ETL) in a typical perovskite solar cell. In this study, we explored ternary oxides in the TiO 2 -ZnO system to find new materials for the ETL. Compact layers of titanium zinc oxides were readily prepared on the conducting substrate via spray pyrolysis method. The optical band gap, valence band maximum and conduction band minimum of the ternary oxides varied significantly with the ratio of Ti to Zn, surprisingly, in a nonmonotonic way. When a zinc-rich ternary oxide was applied as ETL for the device, a PCE of 15.10% was achieved, comparable to that of the device using conventional TiO 2 ETL. Interestingly, the perovskite layer deposited on the zinc-rich ternary oxide is stable, in sharp contrast with that fabricated on a ZnO layer, which will turn into PbI 2 readily when heated. These results indicate that potentially new materials with better performance can be found for ETL of perovskite solar cells in ternary oxides, which deserve more exploration.

New vanadium oxides with perovskite type structure: AThV/sub 2/O/sub 6/ (A=Ca,Sr)

Energy Technology Data Exchange (ETDEWEB)

Vidyasagar, K; Gopalakrishnan, J

1982-07-01

New perovskite oxides of the formula AThV/sub 2/O/sub 6/ (A=Ca,Sr) have been prepared by reduction of the corresponding AThV/sub 2/O/sub 8/ under hydrogen atmosphere. CaThV/sub 2/O/sub 6/ crystallizes in an orthorhombic LaVO/sub 3/ type structure, while the strontium compound exhibiting cation-deficient nonstoichiometry. SrThsub(1-x)V/sub 2/O/sub 6/ (x approx. 0.4), is cubic. The magnetic susceptibility behaviour of the calcium compound is similar to that of V/sup 3 +/ perovskites, while the strontium compound exhibits a large increase in susceptibility below 130K, the behaviour being likely to be associated with the mixed-valence character of vanadium.

General working principles of CH3NH3PbX3 perovskite solar cells.

Science.gov (United States)

Gonzalez-Pedro, Victoria; Juarez-Perez, Emilio J; Arsyad, Waode-Sukmawati; Barea, Eva M; Fabregat-Santiago, Francisco; Mora-Sero, Ivan; Bisquert, Juan

2014-02-12

Organometal halide perovskite-based solar cells have recently realized large conversion efficiency over 15% showing great promise for a new large scale cost-competitive photovoltaic technology. Using impedance spectroscopy measurements we are able to separate the physical parameters of carrier transport and recombination in working devices of the two principal morphologies and compositions of perovskite solar cells, viz. compact thin films of CH3NH3PbI(3-x)Clx and CH3NH3PbI3 infiltrated on nanostructured TiO2. The results show nearly identical spectral characteristics indicating a unique photovoltaic operating mechanism that provides long diffusion lengths (1 μm). Carrier conductivity in both devices is closely matched, so that the most significant differences in performance are attributed to recombination rates. These results highlight the central role of the CH3NH3PbX3 semiconductor absorber in carrier collection and provide a new tool for improved optimization of perovskite solar cells. We report for the first time a measurement of the diffusion length in a nanostructured perovskite solar cell.

Raman spectra of MgSiO3 . 10% Al2O3-perovskite at various pressures and temperatures

International Nuclear Information System (INIS)

Liu Lingun; Irifune, T.

1995-01-01

Variations of Raman spectra of MgSiO 3 . 10% Al 2 O 3 -perovskite were investigated up to about 270 kbar at room temperature and in the range 108-425 K at atmospheric pressure. Like MgSiO 3 -perovskite, the Raman frequencies of MgSiO 3 . 10% Al 2 O 3 -perovskite increase nonlinearly with increasing pressure and decrease linearly with increasing temperature within the experimental uncertainties and the range investigated. A comparison of these data with those of MgSiO 3 -perovskite suggests that MgSiO 3 . 10% Al 2 O 3 -perovskite is slightly more compressible than MgSiO 3 -perovskite, and that the volume thermal expansion for MgSiO 3 . 10% Al 2 O 3 -perovskite is also slightly greater than that for MgSiO 3 -perovskite. (orig.)

Performance Improvement of CH3NH3PbI3 Perovskite Solar Cell by CH3SH Doping

Directory of Open Access Journals (Sweden)

Hong Li

2016-03-01

Full Text Available Organometal halide perovskites have recently emerged as an appealing candidate in photovoltaic devices due to their excellent properties. Therefore, intense efforts have been devoted to find the ideal organics for perovskite solar cells. In response, we investigate the doping effect of CH3SH organic on the structure and related performance of a CH3NH3PbI3 perovskite solar cell, via in situ synchrotron- based grazing incidence X-ray diffraction (GIXRD, together with scanning electron microscopy (SEM. In situ GIXRD investigations clearly illustrated the transformation and modification of the perovskite structure induced by the organic dopant, which subsequently led to the enhance‐ ment of the power conversion efficiency of fabricated solar cells. Notably, nanoporous morphology and nanocrystal‐ line structures were discovered in the perovskite film by SEM; they were also confirmed by the increase in broad‐ ening peaks/features in the GIXRD measurements. Overall, our study may ultimately result in an attractive strategy for the fabrication of high performance perovskite solar cells.

A high-mobility two-dimensional electron gas at the spinel/perovskite interface of γ-Al₂O₃/SrTiO₃

DEFF Research Database (Denmark)

Chen, Yunzhong; Bovet, N.; Trier, Felix

2013-01-01

The discovery of two-dimensional electron gases at the heterointerface between two insulating perovskite-type oxides, such as LaAlO3 and SrTiO3, provides opportunities for a new generation of all-oxide electronic devices. Key challenges remain for achieving interfacial electron mobilities much...

XPS study of surface state of novel perovskite system Dy{sub 0.5}Sr{sub 0.5}Co{sub 0.8}Fe{sub 0.2}O{sub 3-δ} as cathode for solid oxide fuel cells

Energy Technology Data Exchange (ETDEWEB)

Kautkar, Pranay R.; Acharya, Smita A., E-mail: saha275@yahoo.com; Tumram, Priya V. [Depatment of Physics, Rashtrasant Tukadoji Maharaj Nagpur University Campus, Nagpur-440033 (India); Deshpande, U. P. [UGC-DAE Consortium for scientific Research, University Campus, Khandwa Road, Indore-452001, Madhya Pradesh,India (India)

2016-05-06

In the present attempt,novel perovskite oxide Dy{sub 0.5}Sr{sub 0.5}Co{sub 0.8}Fe{sub 0.2}O{sub 3–δ} (DSCF) as cathode material has been synthesized by an Ethylene glycol-citrate combined sol-gel combustion route. Orthorhombic symmetry structure is confirmed by X-ray diffraction (XRD) and data is well fitted using Rietveld refinement by Full-Prof software suite. Chemical natureof surface of DSCF has been analyzed by using X-ray photoelectron spectroscopy (XPS). XPS result shows that Dy ions are in +3 oxidation state and Sr in +2 states. However Co2p and Fe2p spectra indicates partial change in oxidation state from Co3+/Fe3+ to Co4+/Fe4+. These attribute to develop active sites on the surface for oxygen ions. O1s XPS spectra shows two oxygen peaks relatedto lattice oxygen in perovskite and absorbed oxygen in oxygen vacancy are detected. O1s spectra demonstrate the existence of adsorbed oxygen species on the surface of DSCF oxide which is quite beneficial for intermediate temperature of Solid Oxide Fuel Cell.

Perovskite semiconductor La(Ni{sub 0.75}W{sub 0.25})O{sub 3} nanoparticles for visible-light-absorbing photocatalytic material

Energy Technology Data Exchange (ETDEWEB)

Xu, Lei; Xie, Hongde, E-mail: xiehongde@suda.edu.cn; Pu, Yinfu; Huang, Yanlin [Soochow University, State and Local Joint Engineering Laboratory for Novel Functional Polymeric Materials, College of Chemistry, Chemical Engineering and Materials Science (China); Qin, Lin; Seo, Hyo Jin, E-mail: hjseo@pknu.ac.kr [Pukyong National University, Department of Physics and Interdisciplinary Program of Biomedical, Mechanical & Electrical Engineering (Korea, Republic of)

2017-01-15

La(Ni{sub 0.75}W{sub 0.25})O{sub 3} perovskite oxide was prepared via the sol–gel Pechini route. The pure crystalline phase was verified via X-ray diffraction measurements and Rietveld structure refinements. Some measurements were applied to characterize the surface of the nanoparticles such as transmission electron microscopy, scanning electron microscope, energy-dispersive X-ray spectroscopy, specific surface area, and X-ray photo-electron spectroscopy measurements. The optical measurement confirmed that this perovskite oxide can absorb the visible light presenting low band energy of 2.41 eV. The d–d allowed transitions in Ni{sup 2+}-O octahedral have great contributions to the narrow band-gap. The Ni{sup 2+}-containing perovskite was applied as a photocatalyst showing the desirable photodegradation ability for methylene blue solutions under the excitation of visible-light. The photocatalysis activities were discussed in the relationship with its special perovskite-type structure such as the NiO{sub 6} color centers and multivalent cation ions etc.

Synthesis and characterization of the perovskite Sm{sub 0.5}Sr{sub 0.5}CoO{sub 3} for using as cathode in solid oxide fuel cells; Sintese e caracterizacao da provsquita Sm{sub 0.5}Sr{sub 0.5}CoO{sub 3} para utilizacao como catodo em celulas a combustivel de oxido solido

Energy Technology Data Exchange (ETDEWEB)

Blanco, P.H.L.; Muccillo, R.; Muccillo, E.N.S. [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)], e-mail: enavarro@usp.br

2008-07-01

Solid oxide fuel cells are basically constituted by ceramic materials, a solid electrolyte sandwiched between two electrodes. A number of ceramic materials with perovskite structure have been proposed to act as electrode material due to the combination of their physical and chemical properties along with compatibility with the solid electrolyte. In this work the mixed oxide Sm{sub 0,5}Sr{sub 0,5}CoO{sub 3} was synthesized by the cation complexation technique. This perovskite oxide has been proposed as cathode in solid oxide fuel cells that operates in the intermediate temperature range ({approx} 500 to {approx} 700 deg C). Citric acid was used as complexant agent. The thermal decomposition of the precursor material occurs in several stages up to 600 deg C. After calcinations at 700 deg C the mixed oxide exhibits the characteristic perovskite phase of Sm{sub 0,5} Sr{sub 0,5}CoO{sub 3} the microstructure of the thermally decomposed material consists of porous agglomerates. This technique allowed for obtaining a single phase material at a relatively lower temperature. (author)

A Study of Inverted-Type Perovskite Solar Cells with Various Composition Ratios of (FAPbI31−x(MAPbBr3x

Directory of Open Access Journals (Sweden)

Lung-Chien Chen

2016-10-01

Full Text Available This work presents mixed (FAPbI31−x(MAPbBr3x perovskite films with various composition ratios, x (x = 0–1, which are formed using the spin coating method. The structural, optical, and electronic behaviors of the mixed (FAPbI31−x(MAPbBr3x perovskite films are discussed. A device with structure glass/indium tin oxide (ITO/poly(3,4-ethylenedioxythiophene polystyrene sulfonate (PEDOT:PSS/mixed perovskite/C60/BCP/Ag was fabricated. The mixed perovskite film was an active light-harvesting layer. PEDOT:PSS was a hole transporting layer between the ITO and perovskite. Both C60 and bathocuproine (BCP were electron transporting layers. MAPbBr3 was added to FAPbI3 with a composition ratio of x = 0.2, stabilizing the perovskite phase, which exhibited a uniform and dense morphology. The optimal device exhibited band matching with C60, resulting in a low series resistance (Rsh and a high fill factor (FF. Therefore, the device with composition (FAPbI31−x(MAPbBr3x and x = 0.2 exhibited outstanding performance.

Study of transport properties of bodies with a perovskite structure: application to the MgSiO3 perovskite

International Nuclear Information System (INIS)

Kapusta, Benedicte

1990-01-01

After some recalls on transport in ionic solids (Nernst-Einstein relationship, variation of ionic conductivity, hybrid conduction, fast ionic conduction), this research thesis presents the physical properties of perovskites and more particularly the structure and stability of the MgSiO 3 perovskite: structure and elastic properties, electric conductivity and transport properties in compounds with a perovskite structure. Then, the author reports the experimental study of the KZnF 3 perovskite (a structural analogous of MgSiO 3 ): measurements of electric conductivity under pressure, measurements under atmospheric pressure, result discussion. The next part addresses the numerical simulation of MgSiO 3 : simulation techniques (generalities on molecular dynamics, model description), investigation of structural, elastic and thermodynamic properties, diffusion properties in quadratic phase [fr

Band gap and mobility of epitaxial perovskite BaSn1 -xHfxO3 thin films

Science.gov (United States)

Shin, Juyeon; Lim, Jinyoung; Ha, Taewoo; Kim, Young Mo; Park, Chulkwon; Yu, Jaejun; Kim, Jae Hoon; Char, Kookrin

2018-02-01

A wide band-gap perovskite oxide BaSn O3 is attracting much attention due to its high electron mobility and oxygen stability. On the other hand, BaHf O3 was recently reported to be an effective high-k gate oxide. Here, we investigate the band gap and mobility of solid solutions of BaS n1 -xH fxO3 (x =0 -1 ) (BSHO) as a basis to build advanced perovskite oxide heterostructures. All the films were epitaxially grown on MgO substrates using pulsed laser deposition. Density functional theory calculations confirmed that Hf substitution does not create midgap states while increasing the band gap. From x-ray diffraction and optical transmittance measurements, the lattice constants and the band-gap values are significantly modified by Hf substitution. We also measured the transport properties of n -type La-doped BSHO films [(Ba ,La ) (Sn ,Hf ) O3 ] , investigating the feasibility of modulation doping in the BaSn O3/BSHO heterostructures. The Hall measurement data revealed that, as the Hf content increases, the activation rate of the La dopant decreases and the scattering rate of the electrons sharply increases. These properties of BSHO films may be useful for applications in various heterostructures based on the BaSn O3 system.

Synthesis under pressure and characterizations through optical spectroscopy of jahn-teller cations (LS Ni3+, is Co3+) as probes diluted in a perovskite matrix

Science.gov (United States)

Sanz-Ortiz, M. N.; Rodríguez, F.; Baranov, A.; Demazeau, G.

2008-07-01

The objective is to explore through optical spectroscopy and magnetic measurements the coordination and electronic structures of transition-metal ions introduced as impurities with unusual valence states in the oxide perovskite LaAlO3. The selected transition-metal ions Ni3+(3d7) and Co3+(3d6) are characterized by an electronic configuration likely leading to an orbital degenerate E state in Oh symmetry, and thus electron-lattice coupling due to the Jahn-Teller effect may induce low symmetry distortion around the impurity oxygen octahedron. We show that a sol-gel process followed by high oxygen pressure treatments yields stabilization of trivalent state in oxide perovskite. Information about the coordination, electronic structure and aggregation around the magnetic impurity was obtained from X-ray diffraction, FTIR and optical spectroscopy. Finally, evidence on the possible existence of intermediate spin state in Co3+ is under consideration.

Synthesis under pressure and characterizations through optical spectroscopy of jahn-teller cations (LS Ni3+, is Co3+) as probes diluted in a perovskite matrix

International Nuclear Information System (INIS)

Sanz-Ortiz, M N; RodrIguez, F; Baranov, A; Demazeau, G

2008-01-01

The objective is to explore through optical spectroscopy and magnetic measurements the coordination and electronic structures of transition-metal ions introduced as impurities with unusual valence states in the oxide perovskite LaAlO 3 . The selected transition-metal ions Ni 3+ (3d 7 ) and Co 3+ (3d 6 ) are characterized by an electronic configuration likely leading to an orbital degenerate E state in Oh symmetry, and thus electron-lattice coupling due to the Jahn-Teller effect may induce low symmetry distortion around the impurity oxygen octahedron. We show that a sol-gel process followed by high oxygen pressure treatments yields stabilization of trivalent state in oxide perovskite. Information about the coordination, electronic structure and aggregation around the magnetic impurity was obtained from X-ray diffraction, FTIR and optical spectroscopy. Finally, evidence on the possible existence of intermediate spin state in Co 3+ is under consideration

Pure phase LaFeO3 perovskite with improved surface area synthesized using different routes and its characterization

International Nuclear Information System (INIS)

Gosavi, Priti V.; Biniwale, Rajesh B.

2010-01-01

Three different wet chemistry routes, namely co-precipitation, combustion and sol-gel methods were used to synthesize LaFeO 3 perovskite with improved surface area. The synthesized perovskite was characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray spectrometer (EDS), Brunauer-Emmett-Teller (BET) nitrogen adsorption, ultraviolet diffused reflectance spectroscopy (UVDRS) and Fourier transform infrared (FTIR) spectroscopy techniques. Improved surface area was observed for all three methods as compared to the previously reported values. The perovskite synthesized using sol-gel method yields comparatively pure, crystalline phase of LaFeO 3 and relatively higher surface area of 16.5 m 2 g -1 and porosity. The material synthesized using co-precipitation method yielded other phases in addition to the targeted phase. The morphology of perovskite synthesized using co-precipitation method was uniform agglomerates. Combustion method yields flakes type morphology and that of sol-gel method was open pore type morphology. The selection of method for perovskite synthesis largely depends on the targeted application and the desired properties of perovskites. The results reported in this study are useful for establishing a simple scalable method for preparation of high surface area LaFeO 3 as compared to solid-oxide method. Further, the typical heating cycle followed for calcinations resulted in relatively high surface area in the case of all three methods.

A novel perovskite oxide chemically designed to show multiferroic phase boundary with room-temperature magnetoelectricity

Science.gov (United States)

Fernández-Posada, Carmen M.; Castro, Alicia; Kiat, Jean-Michel; Porcher, Florence; Peña, Octavio; Algueró, Miguel; Amorín, Harvey

2016-09-01

There is a growing activity in the search of novel single-phase multiferroics that could finally provide distinctive magnetoelectric responses at room temperature, for they would enable a range of potentially disruptive technologies, making use of the ability of controlling polarization with a magnetic field or magnetism with an electric one (for example, voltage-tunable spintronic devices, uncooled magnetic sensors and the long-searched magnetoelectric memory). A very promising novel material concept could be to make use of phase-change phenomena at structural instabilities of a multiferroic state. Indeed, large phase-change magnetoelectric response has been anticipated by a first-principles investigation of the perovskite BiFeO3-BiCoO3 solid solution, specifically at its morphotropic phase boundary between multiferroic polymorphs of rhombohedral and tetragonal symmetries. Here, we report a novel perovskite oxide that belongs to the BiFeO3-BiMnO3-PbTiO3 ternary system, chemically designed to present such multiferroic phase boundary with enhanced ferroelectricity and canted ferromagnetism, which shows distinctive room-temperature magnetoelectric responses.

Zinc tin oxide as high-temperature stable recombination layer for mesoscopic perovskite/silicon monolithic tandem solar cells

KAUST Repository

Werner, Jérémie

2016-12-05

Perovskite/crystalline silicon tandem solar cells have the potential to reach efficiencies beyond those of silicon single-junction record devices. However, the high-temperature process of 500 °C needed for state-of-the-art mesoscopic perovskite cells has, so far, been limiting their implementation in monolithic tandem devices. Here, we demonstrate the applicability of zinc tin oxide as a recombination layer and show its electrical and optical stability at temperatures up to 500 °C. To prove the concept, we fabricate monolithic tandem cells with mesoscopic top cell with up to 16% efficiency. We then investigate the effect of zinc tin oxide layer thickness variation, showing a strong influence on the optical interference pattern within the tandem device. Finally, we discuss the perspective of mesoscopic perovskite cells for high-efficiency monolithic tandem solar cells. © 2016 Author(s)

Study of the B-site ion behaviour in the multiferroic perovskite bismuth iron chromium oxide

Science.gov (United States)

McBride, Bethany R.; Lieschke, Jonathon; Berlie, Adam; Cortie, David L.; Playford, Helen Y.; Lu, Teng; Narayanan, Narendirakumar; Withers, Ray L.; Yu, Dehong; Liu, Yun

2018-04-01

A simple, near-ambient pressure solid-state method was developed to nominally synthesize BiFe0.5Cr0.5O3. The procedure allowed the gram-scale production of multiferroic samples with appreciable purity and large amounts of Cr incorporation that were suitable for systematic structural investigation by neutron, X-ray, and electron diffraction in tandem with physical characterization of magnetic and ferroelectric properties. The rhombohedrally distorted perovskite phase was assigned to the space group R3c by way of X-ray and neutron powder diffraction analysis. Through a combination of magnetometry and muon spin relaxation, it is evident that there is magnetic ordering in the BFCO phase consistent with G-type antiferromagnetism and a TN ˜ 400 K. There is no clear evidence for chemical ordering of Fe and Cr in the B-site of the perovskite structure and this result is rationalized by density functional theory and bond valence simulations that show a lowered energy associated with a B-site disordered structure. We believe that our contribution of a new, low-complexity method for the synthesis of BFO type samples, and dialogue about realising certain types of ordering in oxide perovskite systems, will assist in the further development of multiferroics for next-generation devices.

Effect of Different CH3NH3PbI3 Morphologies on Photovoltaic Properties of Perovskite Solar Cells

Science.gov (United States)

Chen, Lung-Chien; Lee, Kuan-Lin; Wu, Wen-Ti; Hsu, Chien-Feng; Tseng, Zong-Liang; Sun, Xiao Hong; Kao, Yu-Ting

2018-05-01

In this study, the perovskite layers were prepared by two-step wet process with different CH3NH3I (MAI) concentrations. The cell structure was glass/FTO/TiO2-mesoporous/CH3NH3PbI3 (MAPbI3)/spiro-OMeTAD/Ag. The MAPbI3 perovskite films were prepared using high and low MAI concentrations in a two-step process. The perovskite films were optimized at different spin coating speed and different annealing temperatures to enhance the power conversion efficiency (PCE) of perovskite solar cells. The PCE of the resulting device based on the different perovskite morphologies was discussed. The PCE of the best cell was up to 17.42%, open circuit voltage of 0.97 V, short current density of 24.06 mA/cm2, and fill factor of 0.747.

Effect of A-site deficiency in LaMn_0_._9Co_0_._1O_3 perovskites on their catalytic performance for soot combustion

International Nuclear Information System (INIS)

Dinamarca, Robinson; Garcia, Ximena; Jimenez, Romel; Fierro, J.L.G.; Pecchi, Gina

2016-01-01

Highlights: • A-site defective perovskites increases the oxidation state of the B-cation. • Not always non-stoichiometric perovskites exhibit higher catalytic activity in soot combustion. • The highly symmetric cubic crystalline structure diminishes the redox properties of perovskites. - Abstract: The influence of lanthanum stoichiometry in Ag-doped (La_1_-_xAg_xMn_0_._9Co_0_._1O_3) and A-site deficient (La_1_-_xMn_0_._9Co_0_._1O_3_-_δ) perovskites with x equal to 10, 20 and 30 at.% has been investigated in catalysts for soot combustion. The catalysts were prepared by the amorphous citrate method and characterized by XRD, nitrogen adsorption, XPS, O_2-TPD and TPR. The formation of a rhombohedral excess-oxygen perovskite for Ag-doped and a cubic perovskite structure for an A-site deficient series is confirmed. The efficient catalytic performance of the larger Ag-doped perovskite structure is attributed to the rhombohedral crystalline structure, Ag_2O segregated phases and the redox pair Mn"4"+/Mn"3"+. A poor catalytic activity for soot combustion was observed with A-site deficient perovskites, despite the increase in the redox pair Mn"4"+/Mn"3"+, which is attributed to the cubic crystalline structure.

Transparent and flexible photodetectors based on CH3NH3PbI3 perovskite nanoparticles

Science.gov (United States)

Jeon, Young Pyo; Woo, Sung Jun; Kim, Tae Whan

2018-03-01

Transparent and flexible photodetectors (PDs) based on CH3NH3PbI3 perovskite nanoparticles (NPs) were fabricated by using co-evaporation of methyl ammonium iodide and lead iodide. X-ray diffraction patterns and high-resolution transmission electron microscopy images demonstrated the formation of perovskite NPs. The optical transmittance of the perovskite NPs/glass was above 80% over the entire range of visible wavelengths, indicative of high transparency. The PDs based on CH3NH3PbI3 perovskite NPs were sensitive to a broad range of visible light from 450 to 650 nm. The currents in the PDs under exposure to red, green, and blue light-emitting diodes were enhanced to 5, 10, and 20 times that of the PD in the dark, respectively. The rise and the decay times of the PDs were 50 and 120 μs. The current in the perovskite NP PD on a polyethylene terephthalate substrate was enhanced by approximately 69% when the NP PD was exposed to a blue LED emitting at a wavelength of 459 nm. Despite multiple bending, the transparent and flexible PDs based on methyl ammonium iodide and lead iodide NPs showed reproducibility and high stability in performance.

Growth of MAPbBr3 perovskite crystals and its interfacial properties with Al and Ag contacts for perovskite solar cells

Science.gov (United States)

Najeeb, Mansoor Ani; Ahmad, Zubair; Shakoor, R. A.; Alashraf, Abdulla; Bhadra, Jolly; Al-Thani, N. J.; Al-Muhtaseb, Shaheen A.; Mohamed, A. M. A.

2017-11-01

In this work, the MAPbBr3 perovskite crystals were grown and the interfacial properties of the poly-crystalline MAPbBr3 with Aluminum (Al) and Silver (Ag) contacts has been investigated. MAPbBr3 crystals are turned into the poly-crystalline pellets (PCP) using compaction technique and the Al/PCP, Al/interface layer/PCP, Ag/PCP, and Ag/interface layer/PCP contacts were investigated. Scanning Electron Microscopic (SEM), Energy-dispersive X-ray spectroscopy (EDX) and current-voltage (I-V) characteristic technique were used to have an insight of the degradation mechanism happening at the Metal/perovskite interface. The Ag/PCP contact appears to be stable, whereas Al is found to be highly reactive with the MAPbBr3 perovskite crystals due to the infiltration setback of Al in to the perovskite crystals. The interface layer showed a slight effect on the penetration of Al in to the perovskite crystals however it does not seem to be an appropriate solution. It is noteworthy that the stability of the underlying metal/perovskite contact is very crucial towards the perovskite solar cells with extended device lifetime.

Effects of Fe-Enrichment on the Equation of State and Stability of (Mg,Fe)SiO3 Perovskite and Post-Perovskite

Science.gov (United States)

Dorfman, S. M.; Holl, C. M.; Meng, Y.; Prakapenka, V.; Duffy, T. S.

2010-12-01

Fe-enrichment in the deep lower mantle has been proposed as an explanation for seismic anomalies such as large low shear velocity provinces (LLSVPs) and ultralow velocity zones (ULVZs). In order to resolve the effect of Fe on the stability and equation of state of the lower mantle’s dominant constituent, (Mg,Fe)SiO3 perovskite, we have studied Fe-rich natural orthopyroxenes, (Mg0.61Fe0.37Ca0.02)SiO3 and (Mg0.25Fe0.70Ca0.05)SiO3 (compositions determined by microprobe analysis), at lower mantle P-T conditions. Pyroxene starting materials were mixed with Au (pressure calibrant and laser absorber) and loaded with NaCl or Ne (pressure medium and thermal insulator) in a symmetric diamond anvil cell. X-ray diffraction experiments at pressures up to 122 GPa with in-situ laser heating were performed at the GSECARS (13-ID-D) and HPCAT (16-ID-B) sectors of the Advanced Photon Source. Heating samples to 2000 K produced single-phase orthorhombic GdFeO3-type perovskite at 63 GPa for the Mg# 61 composition and at 72 GPa for the Mg# 25 composition. At lower pressures (56 GPa for Mg# 61, 67 GPa for Mg# 25), heating both compositions resulted in a mixture of perovskite, SiO2 and (Mg,Fe)O. These measurements provide new constraints on the dependence of (Mg,Fe)SiO3 perovskite stability on pressure and composition. Upon further compression to 93 GPa and higher pressures with laser heating, Mg# 25 perovskite transformed to a two-phase mixture of perovskite and post-perovskite. This is consistent with previous findings that Fe substitution destabilizes (Mg,Fe)SiO3 perovskite relative to (Mg,Fe)SiO3 post-perovskite (Mao et al. 2004, Caracas and Cohen 2005). The bulk modulus at 80 GPa (K80) is ~550 GPa for both Fe-rich perovskites, comparable to values measured for MgSiO3 perovskite (Lundin et al. 2008). However, the volume of Fe-rich perovskites increases linearly with Fe-content. The (Mg0.25Fe0.70Ca0.05)SiO3 perovskite is 3% greater at 80 GPa than V80 for the Mg end

Dark ambient degradation of Bisphenol A and Acid Orange 8 as organic pollutants by perovskite SrFeO3−δ metal oxide

International Nuclear Information System (INIS)

Leiw, Ming Yian; Guai, Guan Hong; Wang, Xiaoping; Tse, Man Siu; Ng, Chee Mang; Tan, Ooi Kiang

2013-01-01

Highlights: • Perovskite SFO prepared by high temperature and high-energy ball milling process. • SFO metal oxide shows good efficiency in degrading and mineralizing BPA. • Rapid decoloration of AO8 was achieved in the presence of SFO metal oxide. • O 2 · − is the predominant ROS for dark oxidative degradation of BPA and AO8. -- Abstract: Current advanced oxidation processes (AOPs) are chemically and energetically intensive processes, which are undesirable for cost-effective and large-scale system water treatment and wastewater recycling. This study explored the Strontium Ferrite (SFO) metal oxide on the degradation of highly concentrated organic pollutants under dark ambient condition without any external stimulants. The SFO particles with single perovskite structure were successfully synthesized with a combined high temperature and high-energy ball milling process. An endocrine disruptor, Bisphenol A (BPA) and an azo dye, Acid Orange 8 (AO8) were used as probe organic pollutants. BPA was completely degraded with 83% of mineralization in 24 h while rapid decoloration of AO8 was achieved in 60 min and complete breakdown into primary intermediates and aliphatic acids occurred in 24 h under the treatment of dispersed SFO metal oxide in water. Such efficient degradation could be attributed to the enhanced adsorption of these anionic pollutants on positively charged ball-milled SFO metal oxide surface, resulted in higher degradation activity. Preliminary degradation mechanisms of BPA and AO8 under the action of SFO metal oxide were proposed. These results showed that the SFO metal oxide could be an efficient alternative material as novel advanced oxidation technology for low cost water treatment

Perovskite classification: An Excel spreadsheet to determine and depict end-member proportions for the perovskite- and vapnikite-subgroups of the perovskite supergroup

Science.gov (United States)

Locock, Andrew J.; Mitchell, Roger H.

2018-04-01

Perovskite mineral oxides commonly exhibit extensive solid-solution, and are therefore classified on the basis of the proportions of their ideal end-members. A uniform sequence of calculation of the end-members is required if comparisons are to be made between different sets of analytical data. A Microsoft Excel spreadsheet has been programmed to assist with the classification and depiction of the minerals of the perovskite- and vapnikite-subgroups following the 2017 nomenclature of the perovskite supergroup recommended by the International Mineralogical Association (IMA). Compositional data for up to 36 elements are input into the spreadsheet as oxides in weight percent. For each analysis, the output includes the formula, the normalized proportions of 15 end-members, and the percentage of cations which cannot be assigned to those end-members. The data are automatically plotted onto the ternary and quaternary diagrams recommended by the IMA for depiction of perovskite compositions. Up to 200 analyses can be entered into the spreadsheet, which is accompanied by data calculated for 140 perovskite compositions compiled from the literature.

Preparation and characterization of perovskite structure lanthanum gallate and lanthanum aluminate based oxides

OpenAIRE

Li, Shuai

2009-01-01

The present work was initiated to study the synthesis and properties of lanthanum gallate based oxides as intermediate temperature electrolyte for solid oxide fuel cells. The wet chemical method, polymer complexing route, was used to prepare the precursor powders. To further investigate the polymer complexing method, it was also applied to the preparation of lanthanum aluminate based oxides.   Single perovskite phase La0.8Sr0.2Ga0.83Mg0.17O2.815 can be prepared by the polymer complexing meth...

CH3NH3Pb1-xMgxI3 perovskites as environmentally friendly photovoltaic materials

Science.gov (United States)

Zhang, Y. D.; Feng, J.

2018-01-01

In an effort to reduce the toxicity of Pb in perovskite solar cells, the band structures, electron and hole effective masses, and electronic and optical properties of the novel perovskites CH3NH3Pb1-xMgxI3 were predicted using density functional theory with the scalar relativistic generalized gradient approximation. The calculation results indicated that the introduction of the Mg component caused the band gaps of the CH3NH3Pb1-xMgxI3 compounds to exceed that of CH3NH3PbI3. The calculated absorption coefficients of the CH3NH3PbI3 and CH3NH3Pb1-xMgxI3 perovskites revealed that substituting 12.5 mol % of the Pb in CH3NH3PbI3 with Mg had little effect on the absorption ability. Surprisingly, it was also found that CH3NH3Pb0.75Mg0.25I3 retained up to 83% of the absorption performance relative to CH3NH3PbI3. This indicates that the amount of toxic Pb used in perovskite solar cells could be reduced by a quarter while retaining over 80% of the light-absorbing ability. In general, these novel CH3NH3Pb1-xMgxI3 (x ≤ 0.25) perovskites represent promising candidates for environmentally friendly light-harvesting materials for use in solar cells.

Synthesis, structure and total conductivity of A-site doped LaTiO{sub 3−δ} perovskites

Energy Technology Data Exchange (ETDEWEB)

Bradha, M. [Nanotech Research Facility, PSG Institute of Advanced Studies, Coimbatore 641 004, TN (India); Hussain, S.; Chakravarty, Sujay [UGC-DAE CSR, Kalpakkam Node, Kokilamedu 603 104, TN (India); Amarendra, G. [UGC-DAE CSR, Kalpakkam Node, Kokilamedu 603 104, TN (India); Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102, TN (India); Ashok, Anuradha, E-mail: anu.machina@gmail.com [Nanotech Research Facility, PSG Institute of Advanced Studies, Coimbatore 641 004, TN (India)

2015-03-25

Highlights: • A-site divalent alkaline earth metal doped LaTiO{sub 3−δ} perovskites were synthesised by sol–gel method. • Structural studies revealed no change in crystal symmetry but change in cell dimensions after doping. • After doping divalent cations in A-site, an enhancement in total conductivity was observed in LaTiO{sub 3−δ}. • Temperature dependent electrical property was observed in all synthesised perovskites. - Abstract: Oxygen deficient perovskites LaTiO{sub 3−δ} and La{sub 0.8}A{sub 0.2}TiO{sub 3−δ} (A = Ba, Sr, Ca) were synthesized by sol–gel method. The effect of divalent dopants on microstructure is investigated in detail using X-ray Diffraction (XRD) and Scanning Electron Microscopy (SEM). The oxidation states of La{sup 3+} and Ti{sup 3+} ions have been deduced using X-ray Photoelectron Spectroscopy (XPS). Impedance spectroscopy was used to analyze the total conductivity, an increase in conductivity was observed after doping in the A-site with divalent cations Ba, Ca and Sr. Among the investigated perovskites La{sub 0.8}Ca{sub 0.2}TiO{sub 3−δ} exhibited the maximum conductivity of 1.22 × 10{sup −2} S/cm in air atmosphere at 650 °C.

Fabrication and Characterization of CH3NH3PbI3−x−yBrxCly Perovskite Solar Cells

Directory of Open Access Journals (Sweden)

Atsushi Suzuki

2016-05-01

Full Text Available Fabrication and characterization of CH3NH3PbI3−x−yBrxCly perovskite solar cells using mesoporous TiO2 as electron transporting layer and 2,2′,7,7′-tetrakis-(N,N-di-4-methoxyphenylamino-9,9′-spirobifluorene as a hole-transporting layer (HTL were performed. The purpose of the present study is to investigate role of halogen doping using iodine (I, bromine (Br and chlorine (Cl compounds as dopant on the photovoltaic performance and microstructures of CH3NH3PbI3−x−yBrxCly perovskite solar cells. The X-ray diffraction identified a slight decrease of crystal spacing in the perovskite crystal structure doped with a small amount of I, Br, and Cl in the perovskite compounds. Scanning electron microscopy (SEM and energy dispersive X-ray spectroscopy (EDX showed the perovskite crystal behavior depended on molar ratio of halogen of Pb, I, Br and Cl. Incorporation of the halogen doping into the perovskite crystal structure improved photo generation, carrier diffusion without carrier recombination in the perovskite layer and optimization of electronic structure related with the photovoltaic parameters of open-circuit voltage, short-circuit current density and conversion efficiency. The energy diagram and photovoltaic mechanisms of the perovskite solar cells were discussed in the context of the experimental results.

Optical characterization of voltage-accelerated degradation in CH3NH3PbI3 perovskite solar cells.

Science.gov (United States)

Handa, Taketo; Tex, David M; Shimazaki, Ai; Aharen, Tomoko; Wakamiya, Atsushi; Kanemitsu, Yoshihiko

2016-05-16

We investigate the performance degradation mechanism of CH3NH3PbI3 perovskite solar cells under bias voltage in air and nitrogen atmospheres using photoluminescence and electroluminescence techniques. When applying forward bias, the power conversion efficiency of the solar cells decreased significantly in air, but showed no degradation in nitrogen atmosphere. Time-resolved photoluminescence measurements on these devices revealed that the application of forward bias in air accelerates the generation of non-radiative recombination centers in the perovskite layer buried in the device. We found a negative correlation between the electroluminescence intensity and the injected current intensity in air. The irreversible change of the perovskite grain surface in air initiates the degradation of the perovskite solar cells.

Electron Transfer from Triplet State of TIPS-Pentacene Generated by Singlet Fission Processes to CH3NH3PbI3 Perovskite.

Science.gov (United States)

Lee, Sangsu; Hwang, Daesub; Jung, Seok Il; Kim, Dongho

2017-02-16

To reveal the applicability of singlet fission processes in perovskite solar cell, we investigated electron transfer from TIPS-pentacene to CH 3 NH 3 PbI 3 (MAPbI 3 ) perovskite in film phase. Through the observation of the shorter fluorescence lifetime in TIPS-pentacene/MAPbI 3 perovskite bilayer film (5 ns) compared with pristine MAPbI 3 perovskite film (20 ns), we verified electron-transfer processes between TIPS-pentacene and MAPbI 3 perovskite. Furthermore, the observation of singlet fission processes, a faster decay rate, TIPS-pentacene cations, and the analysis of kinetic profiles of the intensity ratio between 500 and 525 nm in the TA spectra of the TIPS-pentacene/MAPbI 3 perovskite bilayer film indicate that electron transfer occurs from triplet state of TIPS-pentacene generated by singlet fission processes to MAPbI 3 perovskite conduction band. We believe that our results can provide useful information on the design of solar cells sensitized by singlet fission processes and pave the way for new types of perovskite solar cells.

Influence of hydration water on CH3NH3PbI3 perovskite films prepared through one-step procedure.

Science.gov (United States)

Wang, Ziyi; Yuan, Sijian; Li, Dahai; Jin, Feng; Zhang, Rongjun; Zhan, Yiqiang; Lu, Ming; Wang, Songyou; Zheng, Yuxiang; Guo, Junpeng; Fan, Zhiyong; Chen, Liangyao

2016-10-31

Organic-inorganic perovskites were fabricated through a one-step procedure with different levels of hydration water in precursor solutions. The optical properties of CH3NH3PbI3 films were investigated through spectroscopic ellipsometry and photoluminescence measurements. With the measured optical constants, the efficiency limit of perovskite solar cells is predicted with a detailed balance model. By comparing the optical measurement to that of planar heterojunction solar cells, we conclude that the radiative efficiency and porosity of the perovskite film significantly influence the performance of perovskite solar cells. An optimized hydration-water concentration is obtained for the 3CH3NH3I:1PbAc2•xH2O precursor solution. The results can provide guidance for further optimization of the device performance of perovskite solar cells by utilizing hydration water.

Phase transition in metastable perovskite Pb(AlNb)0,5O3

International Nuclear Information System (INIS)

Zhabko, T.E.; Olekhnovich, N.M.; Shilin, A.D.

1987-01-01

Dielectric properties of metastable perovskite Pb(AlNb) 0.5 O 3 and X-ray temperature investigations of both perovskite and pyrochlore modifications of the given compound are studied. Samples with the perovskite structure are prepared from the pyrochlorephase at 4-5 GPa pressure and 1170-1270 K. Ferroelectric phase transition is shown to occur in the metastable perovskite phase Pb(AlNb) 0.5 O 3 at 170 K

Creep behavior of perovskite-type oxides Ba0.5Sr0.5(Co0.8Fe0.2)1−xZrxO3−δ

NARCIS (Netherlands)

Stournari, V.; ten Donkelaar, S.F.P.; Malzbender, J.; Beck, T.; Singheiser, L.; Bouwmeester, Henricus J.M.

2015-01-01

Compressive creep tests have been performed on perovskite-type oxides Ba0.5Sr0.5(Co0.8Fe0.2)1–xZrxO3−δ (BSCF-Z100·x), where x = 0.01, 0.03, 0.05 and 0.1, for the use as oxygen transport membrane, in air at 800–950 °C and at nominal stresses of 30 MPa and 63 MPa. X-ray diffraction and microstructural

Structural Investigations of Complex Oxides using Synchrotron Radiation

International Nuclear Information System (INIS)

Hans-Conrad zur Loye

2007-01-01

The work is a collaborative effort between Prof. Hanno zur Loye at the University of South Carolina and Dr. Tom Vogt at Brookhaven National Laboratory. The collaborative research focuses on the synthesis and the structural characterization of perovskites and perovskite related oxides and will target new oxide systems where we have demonstrated expertise in synthesis, yet lack the experimental capabilities to answer important structural issues. Synthetically, we will focus on two subgroups of perovskite structures, the double and triple perovskites, and the 2H-perovskite related oxides belonging to the A 3n+3m A(prime) 3M+n B 3m+n O 9m+6n family. In the first part of the proposal, our goal of synthesizing and structurally characterizing new ruthenium, iridium, rhodium and ruthenium containing double and triple perovskites, with the emphasis on exercising control over the oxidation state(s) of the metals, is described. These oxides will be of interest for their electronic and magnetic properties that will be investigated as well

Simplified Perovskite Solar Cell with 4.1% Efficiency Employing Inorganic CsPbBr3 as Light Absorber.

Science.gov (United States)

Duan, Jialong; Zhao, Yuanyuan; He, Benlin; Tang, Qunwei

2018-04-17

Perovskite solar cells with cost-effectiveness, high power conversion efficiency, and improved stability are promising solutions to the energy crisis and environmental pollution. However, a wide-bandgap inorganic-semiconductor electron-transporting layer such as TiO 2 can harvest ultraviolet light to photodegrade perovskite halides, and the high cost of a state-of-the-art hole-transporting layer is an economic burden for commercialization. Here, the building of a simplified cesium lead bromide (CsPbBr 3 ) perovskite solar cell with fluorine-doped tin oxide (FTO)/CsPbBr 3 /carbon architecture by a multistep solution-processed deposition technology is demonstrated, achieving an efficiency as high as 4.1% and improved stability upon interfacial modification by graphene quantum dots and CsPbBrI 2 quantum dots. This work provides new opportunities of building next-generation solar cells with significantly simplified processes and reduced production costs. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dark ambient degradation of Bisphenol A and Acid Orange 8 as organic pollutants by perovskite SrFeO{sub 3−δ} metal oxide

Energy Technology Data Exchange (ETDEWEB)

Leiw, Ming Yian, E-mail: LEIW0003@e.ntu.edu.sg [School of Electrical and Electronic Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore); GlobalFoundries Singapore Pte. Ltd., 60 Woodlands Industrial Park D Street 2, Singapore 738406 (Singapore); Guai, Guan Hong [GlobalFoundries Singapore Pte. Ltd., 60 Woodlands Industrial Park D Street 2, Singapore 738406 (Singapore); School of Chemical and Biomedical Engineering and Center for Advanced Bionanosystems, Nanyang Technological University, 70 Nanyang Drive, Singapore 637457 (Singapore); Wang, Xiaoping [School of Civil and Environmental Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore); Tse, Man Siu [School of Electrical and Electronic Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore); Ng, Chee Mang [GlobalFoundries Singapore Pte. Ltd., 60 Woodlands Industrial Park D Street 2, Singapore 738406 (Singapore); Tan, Ooi Kiang [School of Electrical and Electronic Engineering, Nanyang Technological University, 50 Nanyang Avenue, Singapore 639798 (Singapore)

2013-09-15

Highlights: • Perovskite SFO prepared by high temperature and high-energy ball milling process. • SFO metal oxide shows good efficiency in degrading and mineralizing BPA. • Rapid decoloration of AO8 was achieved in the presence of SFO metal oxide. • O{sub 2}·{sup −} is the predominant ROS for dark oxidative degradation of BPA and AO8. -- Abstract: Current advanced oxidation processes (AOPs) are chemically and energetically intensive processes, which are undesirable for cost-effective and large-scale system water treatment and wastewater recycling. This study explored the Strontium Ferrite (SFO) metal oxide on the degradation of highly concentrated organic pollutants under dark ambient condition without any external stimulants. The SFO particles with single perovskite structure were successfully synthesized with a combined high temperature and high-energy ball milling process. An endocrine disruptor, Bisphenol A (BPA) and an azo dye, Acid Orange 8 (AO8) were used as probe organic pollutants. BPA was completely degraded with 83% of mineralization in 24 h while rapid decoloration of AO8 was achieved in 60 min and complete breakdown into primary intermediates and aliphatic acids occurred in 24 h under the treatment of dispersed SFO metal oxide in water. Such efficient degradation could be attributed to the enhanced adsorption of these anionic pollutants on positively charged ball-milled SFO metal oxide surface, resulted in higher degradation activity. Preliminary degradation mechanisms of BPA and AO8 under the action of SFO metal oxide were proposed. These results showed that the SFO metal oxide could be an efficient alternative material as novel advanced oxidation technology for low cost water treatment.

Thermal engineering of lead-free nanostructured CH3NH3SnCl3 perovskite material for thin-film solar cell

Science.gov (United States)

Moyez, Sk Abdul; Roy, Subhasis

2018-01-01

Perovskite solar cell is a kind of revolutionary investigation in the field of renewable energy which is capable of mitigates the deficiencies of silicon solar cell and its uprising efficiency can bring blessing to society. The presence of lead (Pb) in perovskite solar cell can make worst and negative impact on environment and is not desirable for our society. In this paper, general plans are anticipated by replacement of Pb with tin (Sn) in open atmosphere to fabricate the CH3NH3SnCl3 photovoltaic cells in chlorine (Cl)-rich environment. Excess uses of Cl has positive influences on morphological growth of the film and it also suppresses the oxidation tendency of tin (Sn) with existing oxygen in atmosphere and maintains same chemical atmosphere as bulk. Various characterization tools like X-ray diffraction, scanning electron microscope (SEM) have been used to study the effect of annealing temperature on crystal stricture, phase formation, impurities, and morphologies of the film. Finally, photovoltaic performance was reported using the solar simulator under 1.5 sun illumination.

Electrical Stress Influences the Efficiency of CH3 NH3 PbI3 Perovskite Light Emitting Devices.

Science.gov (United States)

Zhao, Lianfeng; Gao, Jia; Lin, YunHui L; Yeh, Yao-Wen; Lee, Kyung Min; Yao, Nan; Loo, Yueh-Lin; Rand, Barry P

2017-06-01

Organic-inorganic hybrid perovskite materials are emerging as semiconductors with potential application in optoelectronic devices. In particular, perovskites are very promising for light-emitting devices (LEDs) due to their high color purity, low nonradiative recombination rates, and tunable bandgap. Here, using pure CH 3 NH 3 PbI 3 perovskite LEDs with an external quantum efficiency (EQE) of 5.9% as a platform, it is shown that electrical stress can influence device performance significantly, increasing the EQE from an initial 5.9% to as high as 7.4%. Consistent with the enhanced device performance, both the steady-state photoluminescence (PL) intensity and the time-resolved PL decay lifetime increase after electrical stress, indicating a reduction in nonradiative recombination in the perovskite film. By investigating the temperature-dependent characteristics of the perovskite LEDs and the cross-sectional elemental depth profile, it is proposed that trap reduction and resulting device-performance enhancement is due to local ionic motion of excess ions, likely excess mobile iodide, in the perovskite film that fills vacancies and reduces interstitial defects. On the other hand, it is found that overstressed LEDs show irreversibly degraded device performance, possibly because ions initially on the perovskite lattice are displaced during extended electrical stress and create defects such as vacancies. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

CH3NH3Pb1−xMgxI3 perovskites as environmentally friendly photovoltaic materials

Directory of Open Access Journals (Sweden)

Y. D. Zhang

2018-01-01

Full Text Available In an effort to reduce the toxicity of Pb in perovskite solar cells, the band structures, electron and hole effective masses, and electronic and optical properties of the novel perovskites CH3NH3Pb1−xMgxI3 were predicted using density functional theory with the scalar relativistic generalized gradient approximation. The calculation results indicated that the introduction of the Mg component caused the band gaps of the CH3NH3Pb1−xMgxI3 compounds to exceed that of CH3NH3PbI3. The calculated absorption coefficients of the CH3NH3PbI3 and CH3NH3Pb1−xMgxI3 perovskites revealed that substituting 12.5 mol % of the Pb in CH3NH3PbI3 with Mg had little effect on the absorption ability. Surprisingly, it was also found that CH3NH3Pb0.75Mg0.25I3 retained up to 83% of the absorption performance relative to CH3NH3PbI3. This indicates that the amount of toxic Pb used in perovskite solar cells could be reduced by a quarter while retaining over 80% of the light-absorbing ability. In general, these novel CH3NH3Pb1−xMgxI3 (x ≤ 0.25 perovskites represent promising candidates for environmentally friendly light-harvesting materials for use in solar cells.

Band Structure Analysis of La0.7Sr0.3MnO3 Perovskite Manganite Using a Synchrotron

Directory of Open Access Journals (Sweden)

Hong-Sub Lee

2015-01-01

Full Text Available Oxide semiconductors and their application in next-generation devices have received a great deal of attention due to their various optical, electric, and magnetic properties. For various applications, an understanding of these properties and their mechanisms is also very important. Various characteristics of these oxides originate from the band structure. In this study, we introduce a band structure analysis technique using a soft X-ray energy source to study a La0.7Sr0.3MnO3 (LSMO oxide semiconductor. The band structure is formed by a valence band, conduction band, band gap, work function, and electron affinity. These can be determined from secondary electron cut-off, valence band spectrum, O 1s core electron, and O K-edge measurements using synchrotron radiation. A detailed analysis of the band structure of the LSMO perovskite manganite oxide semiconductor thin film was established using these techniques.

Autothermal reforming catalyst having perovskite structure

Science.gov (United States)

Krumpel, Michael [Naperville, IL; Liu, Di-Jia [Naperville, IL

2009-03-24

The invention addressed two critical issues in fuel processing for fuel cell application, i.e. catalyst cost and operating stability. The existing state-of-the-art fuel reforming catalyst uses Rh and platinum supported over refractory oxide which add significant cost to the fuel cell system. Supported metals agglomerate under elevated temperature during reforming and decrease the catalyst activity. The catalyst is a perovskite oxide or a Ruddlesden-Popper type oxide containing rare-earth elements, catalytically active firs row transition metal elements, and stabilizing elements, such that the catalyst is a single phase in high temperature oxidizing conditions and maintains a primarily perovskite or Ruddlesden-Popper structure under high temperature reducing conditions. The catalyst can also contain alkaline earth dopants, which enhance the catalytic activity of the catalyst, but do not compromise the stability of the perovskite structure.

Light-Responsive Ion-Redistribution-Induced Resistive Switching in Hybrid Perovskite Schottky Junctions

KAUST Repository

Guan, Xinwei

2017-11-23

Hybrid Perovskites have emerged as a class of highly versatile functional materials with applications in solar cells, photodetectors, transistors, and lasers. Recently, there have also been reports on perovskite-based resistive switching (RS) memories, but there remain open questions regarding device stability and switching mechanism. Here, an RS memory based on a high-quality capacitor structure made of an MAPbBr3 (CH3NH3PbBr3) perovskite layer sandwiched between Au and indium tin oxide (ITO) electrodes is reported. Such perovskite devices exhibit reliable RS with an ON/OFF ratio greater than 103, endurance over 103 cycles, and a retention time of 104 s. The analysis suggests that the RS operation hinges on the migration of charged ions, most likely MA vacancies, which reversibly modifies the perovskite bulk transport and the Schottky barrier at the MAPbBr3/ITO interface. Such perovskite memory devices can also be fabricated on flexible polyethylene terephthalate substrates with high bendability and reliability. Furthermore, it is found that reference devices made of another hybrid perovskite MAPbI3 consistently exhibit filament-type switching behavior. This work elucidates the important role of processing-dependent defects in the charge transport of hybrid perovskites and provides insights on the ion-redistribution-based RS in perovskite memory devices.

A new-type inorganic [KNbO{sub 3}]{sub 0.9}[BaCo{sub 1/2}Nb{sub 1/2}O{sub 3-δ}]{sub 0.1} perovskite oxide as sensitizer for photovoltaic cell

Energy Technology Data Exchange (ETDEWEB)

Yu, Limin [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou (China); University of Chinese Academy of Sciences, Beijing (China); Jia, Junhong; Yi, Gewen [State Key Laboratory of Solid Lubrication, Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou (China)

2017-02-15

An electrode with [KNbO{sub 3}]{sub 0.9}[BaCo{sub 1/2}Nb{sub 1/2}O{sub 3-δ}]{sub 0.1} (KBCNO) perovskite oxide as sensitizer and well-aligned TiO{sub 2} nanorod arrays is prepared via conventional standard solid-state synthesis method, followed by pulsed laser deposition technique for the first time. Enhanced absorption in visible light region is observed for KBCNO rate at TiO{sub 2} NRs photoelectrode, which is mainly because the inserted Co 3d electronic states can hybridize with O 2p states in the gap of KBCNO, reducing the band gap to 1.90 eV. Additionally, the oxygen vacancies existing in KBCNO can not only serve as photoinduced charge traps and adsorption sites but also prevent recombination of photoinduced electron-hole, giving rise to enhanced separation of photogenerated electron-hole pair and leading to an improved performance in solar energy conversion. The KBCNO rate at TiO{sub 2} NRs photoelectrode exhibits an energy conversion efficiency of 0.183% under one sun illumination. This work provide further insight for improving the efficiency of utilization of solar energy by using a new composite perovskite oxides material, which may be promising rational categories of material for solar conversion and storage devices. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Converged G W quasiparticle energies for transition metal oxide perovskites

Science.gov (United States)

Ergönenc, Zeynep; Kim, Bongjae; Liu, Peitao; Kresse, Georg; Franchini, Cesare

2018-02-01

The ab initio calculation of quasiparticle (QP) energies is a technically and computationally challenging problem. In condensed matter physics, the most widely used approach to determine QP energies is the G W approximation. Although the G W method has been widely applied to many typical semiconductors and insulators, its application to more complex compounds such as transition metal oxide perovskites has been comparatively rare, and its proper use is not well established from a technical point of view. In this work, we have applied the single-shot G0W0 method to a representative set of transition metal oxide perovskites including 3 d (SrTiO3, LaScO3, SrMnO3, LaTiO3, LaVO3, LaCrO3, LaMnO3, and LaFeO3), 4 d (SrZrO3, SrTcO3, and Ca2RuO4 ), and 5 d (SrHfO3, KTaO3, and NaOsO3) compounds with different electronic configurations, magnetic orderings, structural characteristics, and band gaps ranging from 0.1 to 6.1 eV. We discuss the proper procedure to obtain well-converged QP energies and accurate band gaps within single-shot G0W0 by comparing the conventional approach based on an incremental variation of a specific set of parameters (number of bands, energy cutoff for the plane-wave expansion and number of k points) and the basis-set extrapolation scheme [J. Klimeš et al., Phys. Rev. B 90, 075125 (2014), 10.1103/PhysRevB.90.075125]. Although the conventional scheme is not supported by a formal proof of convergence, for most cases it delivers QP energies in reasonably good agreement with those obtained by the basis-set correction procedure and it is by construction more useful for calculating band structures. In addition, we have inspected the difference between the adoption of norm-conserving and ultrasoft potentials in G W calculations and found that the norm violation for the d shell can lead to less accurate results in particular for charge-transfer systems and late transition metals. A minimal statistical analysis indicates that the correlation of the G W data

Structures and Phase Transitions in Ordered Double Perovskites

International Nuclear Information System (INIS)

Kennedy, Brendan; Zhou, Qingdi; Cheah, Melina

2005-01-01

Full text: The basic perovskite structure is ubiquitous in the study of metal oxides, yet very few oxides actually adopt the archetypal cubic structure. The perovskite structure is based on corner sharing octahedra and in most cases cooperative rotations of successive octahedra lower the symmetry of the perovskite structure. Solid State Chemists have been fascinated by these distortions for many years, not only for their intrinsic interest but also to understand how these distortions control the electronic and magnetic properties of perovskite oxides. In this presentation we will describe the use of high-resolution powder diffraction methods to unravel the temperature and composition dependence of the structures in two series of double perovskites, Sr 1-x A x NiWO 6 (A = Ba, Ca) where there is essentially complete ordering of Ni and W cations and in Sr 1-x Ca x CrNbO 6 where there is extensive disorder of the Cr and Nb cations. (authors)

Tensile strain effect in ferroelectric perovskite oxide thin films on spinel magnesium aluminum oxide substrate

Science.gov (United States)

Zhou, Xiaolan

Ferroelectrics are used in FeRAM (Ferroelectric random-access memory). Currently (Pb,Zr)TiO3 is the most common ferroelectric material. To get lead-free and high performance ferroelectric material, we investigated perovskite ferroelectric oxides (Ba,Sr)TiO3 and BiFeO3 films with strain. Compressive strain has been investigated intensively, but the effects of tensile strain on the perovskite films have yet to be explored. We have deposited (Ba,Sr)TiO3, BiFeO3 and related films by pulsed laser deposition (PLD) and analyzed the films by X-ray diffractometry (XRD), atomic force microscopy (AFM), etc. To obtain inherently fully strained films, the selection of the appropriate substrates is crucial. MgAl2O4 matches best with good quality and size, yet the spinel structure has an intrinsic incompatibility to that of perovskite. We introduced a rock-salt structure material (Ni 1-xAlxO1+delta) as a buffer layer to mediate the structural mismatch for (Ba,Sr)TiO3 films. With buffer layer Ni1-xAlxO1+delta, we show that the BST films have high quality crystallization and are coherently epitaxial. AFM images show that the films have smoother surfaces when including the buffer layer, indicating an inherent compatibility between BST-NAO and NAO-MAO. In-plane Ferroelectricity measurement shows double hysteresis loops, indicating an antiferroelectric-like behavior: pinned ferroelectric domains with antiparallel alignments of polarization. The Curie temperatures of the coherent fully strained BST films are also measured. It is higher than 900°C, at least 800°C higher than that of bulk. The improved Curie temperature makes the use of BST as FeRAM feasible. We found that the special behaviors of ferroelectricity including hysteresis loop and Curie temperature are due to inherent fully tensile strain. This might be a clue of physics inside ferroelectric stain engineering. An out-of-plane ferroelectricity measurement would provide a full whole story of the tensile strain. However, a

Graphene oxide/PEDOT:PSS composite hole transport layer for efficient and stable planar heterojunction perovskite solar cells.

Science.gov (United States)

Lee, Da-Young; Na, Seok-In; Kim, Seok-Soon

2016-01-21

We investigated a graphene oxide (GO)/poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) ( PSS) composite as a promising candidate for the practical application of a 2-D carbonaceous hole transport layer (HTL) to planar heterojunction perovskite solar cells (PeSCs) consisting of a transparent electrode/HTL/perovskite/fullerene/metal electrode. Both the insulating properties of GO and the non-uniform coating of the transparent electrode with GO cause the poor morphology of perovskite induced low power conversion efficiency (PCE) of 6.4%. On the other hand, PeSCs with a GO/PEDOT:PSS composite HTL, exhibited a higher PCE of 9.7% than that of a device fabricated with conventional PSS showing a PCE of 8.2%. The higher performance is attributed to the decreased series resistance (RS) and increased shunt resistance (RSh). The well-matched work-function between GO (4.9 eV) and PSS (5.1 eV) probably results in more efficient charge transport and an overall decrease in RS. The existence of GO with a large bandgap of ∼3.6 eV might induce the effective blocking of electrons, leading to an increase of RSh. Moreover, improvement in the long-term stability under atmospheric conditions was observed.

Role of bromine doping on the photovoltaic properties and microstructures of CH3NH3PbI3 perovskite solar cells

International Nuclear Information System (INIS)

Suzuki, Atsushi; Okada, Hiroshi; Oku, Takeo

2016-01-01

Organic-inorganic hybrid heterojunction solar cells containing CH 3 NH 3 PbI 3 perovskite compound were fabricated using mesoporous TiO 2 as the electronic transporting layer and spirobifluorence as the hole-transporting layer. The purpose of the present study is to investigate role of bromine (Br) doping on the photovoltaic properties and microstructure of CH 3 NH 3 PbI 3 perovskite solar cells. Photovoltaic, optical properties and microstructures of perovskite-based solar cells were investigated. The X-ray diffraction identified crystal structure of the perovskite layer doped with Br in the solar cell. Scanning electron microscopy observation showed a different behavior of surface morphology and the perovskite crystal structure on the TiO 2 mesoporous structure depending on extent amount of hydrogen doping of Br. The role of bromide halogen doping on the perovskite crystal structure and photovoltaic properties was due to improvement of carrier mobility, optimization of electron structure, band gap related with the photovoltaic parameters of V oc , J sc and η. Energy diagram and photovoltaic mechanism of the perovskite solar cells varied with halogen doping was discussed by experimental results

The role of deep acceptor centers in the oxidation of acceptor-doped wide-band-gap perovskites ABO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Putilov, L.P., E-mail: lev.putilov@gmail.com; Tsidilkovski, V.I.

2017-03-15

The impact of deep acceptor centers on defect thermodynamics and oxidation of wide-band-gap acceptor-doped perovskites without mixed-valence cations is studied. These deep centers are formed by the acceptor-bound small hole polarons whose stabilization energy can be high enough (significantly higher than the hole-acceptor Coulomb interaction energy). It is shown that the oxidation enthalpy ΔH{sub ox} of oxide is determined by the energy ε{sub A} of acceptor-bound states along with the formation energy E{sub V} of oxygen vacancies. The oxidation reaction is demonstrated to be either endothermic or exothermic, and the regions of ε{sub A} and E{sub V} values corresponding to the positive or negative ΔH{sub ox} are determined. The contribution of acceptor-bound holes to the defect thermodynamics strongly depends on the acceptor states depth ε{sub A}: it becomes negligible at ε{sub A} less than a certain value (at which the acceptor levels are still deep). With increasing ε{sub A}, the concentration of acceptor-bound small hole polarons can reach the values comparable to the dopant content. The results are illustrated with the acceptor-doped BaZrO{sub 3} as an example. It is shown that the experimental data on the bulk hole conductivity of barium zirconate can be described both in the band transport model and in the model of hopping small polarons localized on oxygen ions away from the acceptor centers. Depending on the ε{sub A} magnitude, the oxidation reaction can be either endothermic or exothermic for both mobility mechanisms.

Synthesis and characterization of Co-doped lanthanum nickelate perovskites for solid oxide fuel cell cathode material

International Nuclear Information System (INIS)

Chavez G, L.; Hinojosa R, M.; Medina L, B.; Ringuede, A.; Cassir, M.; Vannier, R. N.

2017-01-01

In the perovskite structures widely investigated and used as solid oxide fuel cells cathodes, oxygen reduction is mainly limited to the triple phase boundary (TPB), where oxygen (air), electrode and electrolyte are in contact. It is possible via the sol-gel modified Pechini method to: 1) control the material grain size, which can increase TPBs, 2) produce a homogenous material and 3) obtain a cathode material in a faster way compared with the solid state route. LaNi_xCo_1_-_xO_3 (x = 0.3, 0.5, 0.7) were synthesized by the modified Pechini method. The perovskite phase formation began at 350 degrees Celsius and the presence of pure LaNi_0_._7Co_0_._3O_3, LaNi_0_._5Co_0_._5O_3 and LaNi_0_._3Co_0_._7O_3 structures was evidenced by high temperature X-ray diffraction (Ht-XRD) measurements. Scanning electron microscopy (Sem) micrographs showed that the microstructure evolves with the amount of cobalt from a coalesced to an open structure. Electrochemical impedance spectroscopy (EIS) on symmetrical cells LaNi_xCo_1_-_xO_3/YSZ (Yttria-stabilized zirconia)/LaNi_xCo_1_-_xO_3 showed that the highest ASR (area specific resistance) is obtained with x = 0.3, whereas ASR values are similar for x = 0.5 and 0.7 at temperatures higher than 600 degrees Celsius. At temperatures lower than 600 degrees Celsius, ASR is the lowest for LaNi_0_._5Co_0_._5O_3, showing that this composition with intermediate porosity appears as a good choice for and intermediate-temperature solid oxid fuel cell. (Author)

New W-and Mo-containing perovskites sythesized at high pressure

Energy Technology Data Exchange (ETDEWEB)

Sevast' yanova, L G; Burdina, K P; Zubova, E V; Venevtsev, Yu N [Moskovskij Gosudarstvennyj Univ. (USSR); Nauchno-Issledovatel' skij Fiziko-Khimicheskij Inst., Moscow (USSR))

1979-11-01

The possibility of synthesizing complex oxide W and Mo-containing compounds having a perovskite structure is shown. The optimum synthesis conditions have been defined. Critical pressure Psub(cr) has been found to equal 70 kbar, above which the perovskite structure can still exist at room temperature. The ''pressure-temperature'' diagram was used to define the stability region of perovskite of Pb(HgMo)sub(1/2)Osub(3)composition, bound by pressure p=35 to 50 kbar and a temperature of 700 deg C.

Amorphous Tin Oxide as a Low-Temperature-Processed Electron-Transport Layer for Organic and Hybrid Perovskite Solar Cells

KAUST Repository

Barbe, Jeremy

2017-02-08

Chemical bath deposition (CBD) of tin oxide (SnO) thin films as an electron-transport layer (ETL) in a planar-heterojunction n-i-p organohalide lead perovskite and organic bulk-heterojunction (BHJ) solar cells is reported. The amorphous SnO (a-SnO) films are grown from a nontoxic aqueous bath of tin chloride at a very low temperature (55 °C) and do not require postannealing treatment to work very effectively as an ETL in a planar-heterojunction n-i-p organohalide lead perovskite or organic BHJ solar cells, in lieu of the commonly used ETL materials titanium oxide (TiO) and zinc oxide (ZnO), respectively. Ultraviolet photoelectron spectroscopy measurements on the glass/indium-tin oxide (ITO)/SnO/methylammonium lead iodide (MAPbI)/2,2′,7,7′-tetrakis(N,N-di-p-methoxyphenylamine)-9,9′-spirobifluorene device stack indicate that extraction of photogenerated electrons is facilitated by a perfect alignment of the conduction bands at the SnO/MAPbI interface, while the deep valence band of SnO ensures strong hole-blocking properties. Despite exhibiting very low electron mobility, the excellent interfacial energetics combined with high transparency (E > 4 eV) and uniform substrate coverage make the a-SnO ETL prepared by CBD an excellent candidate for the potentially low-cost and large-scale fabrication of organohalide lead perovskite and organic photovoltaics.

Catalytic properties of perovskite-type mixed oxides, La/sub 1-x/Sr/sub x/CoO/sub 3/

Energy Technology Data Exchange (ETDEWEB)

Nakamura, T; Misono, M; Yoneda, Y

1982-02-01

The reactivity and related properties of oxygen both in the bulk and on the surface has been investigated for perovskite-type mixed oxides (La/sub 1-x/Sr,sub x/CoO/sub 3/), in regard to the effects of Sr/sup 2 +/-substitution and calcination temperature. The reducibility and the readiness of oxygen desorption increased with the Sr/sup 2 +/- content, x, but the reoxidation became slower with x. These results have been explained on the basis of the change in the chemical potential of lattice oxygen. The diffusivity of oxygen in the bulk and the ability to activate the oxygen molecule also increased with x. Oxygen vacancies in the bulk and on the surface, which tended to increase with x, are likely responsible for these reactions. The release of oxygen from the bulk became more difficult as the calcination temperature increased, in conformity with the trend of the catalytic activity.

Carrier injection and recombination processes in perovskite CH3NH3PbI3 solar cells studied by electroluminescence spectroscopy

Science.gov (United States)

Handa, Taketo; Okano, Makoto; Tex, David M.; Shimazaki, Ai; Aharen, Tomoko; Wakamiya, Atsushi; Kanemitsu, Yoshihiko

2016-02-01

Organic-inorganic hybrid perovskite materials, CH3NH3PbX3 (X = I and Br), are considered as promising candidates for emerging thin-film photovoltaics. For practical implementation, the degradation mechanism and the carrier dynamics during operation have to be clarified. We investigated the degradation mechanism and the carrier injection and recombination processes in perovskite CH3NH3PbI3 solar cells using photoluminescence (PL) and electroluminescence (EL) imaging spectroscopies. By applying forward bias-voltage, an inhomogeneous distribution of the EL intensity was clearly observed from the CH3NH3PbI3 solar cells. By comparing the PL- and EL-images, we revealed that the spatial inhomogeneity of the EL intensity is a result of the inhomogeneous luminescence efficiency in the perovskite layer. An application of bias-voltage for several tens of minutes in air caused a decrease in the EL intensity and the conversion efficiency of the perovskite solar cells. The degradation mechanism of perovskite solar cells under bias-voltage in air is discussed.

Preparation and characterization of the non-stoichiometric La–Mn perovskites

International Nuclear Information System (INIS)

Gao, Zhiming; Wang, Huishu; Ma, Hongwei; Li, Zhanping

2015-01-01

Six La–Mn oxide samples with La/Mn atomic ratio x = 1.03–0.56 (denoted as sample LaxMn) were prepared by the citrate method with calcination at 700 °C for 5 h, and characterized by X-ray diffraction (XRD), N 2 adsorption–desorption, temperature programmed reduction (TPR) and X-ray photoelectron spectroscopy (XPS). It is confirmed that the four samples with La/Mn atomic ratio at 1.03–0.72 are all single phase perovskites by XRD patterns. Lattice parameters of the perovskites are varying with the La/Mn atomic ratio. As the La/Mn atomic ratio further lowers to 0.63 and 0.56, Mn 3 O 4 phase is formed besides the main phase of perovskite. Lattice vacancy at the A-sites of the perovskites is present for all the six samples, and there are an appreciable number of Mn 4+ ions in the perovskite crystal according to the refinement results of the Rietveld method. XPS analyses indicate that Mn ions are enriched on the surfaces of all the samples. In addition, catalytic activity for methane oxidation is in an order of sample La 0.89 Mn > La 1.03 Mn > La 0.81 Mn > La 0.72 Mn > La 0.63 Mn > La 0.56 Mn. - Highlights: • The samples with La/Mn atomic ratio at 1.03–0.72 are single phase perovskites. • Cationic lattice vacancies are present in the perovskite crystal of the samples. • Surface of the samples is enriched by Mn ions. • The sample La 0.89 Mn is most catalytically active for methane oxidation

Controlling the Electronic Properties in La1/3Sr 2/3FeO3-delta Complex Perovskite Oxides

Science.gov (United States)

Krick, Alex L.

the temperature-dependent resistivity. Carrier behavior within the superlattices was also explored by fitting the temperature dependent resistivity to common conduction models. The conduction mechanism fits show that the transport at high temperatures is dominated by weakly insulating behavior due to small polaron conduction and at low temperatures the resistivity can be fit to both a novel power law and 3-dimensional variable range hopping. Additionally, reversible changes of the structural and electronic transport properties of La1/3Sr2/3FeO3-delta/Gd-doped CeO2 (GDC) heterostructures arising from the manipulation of delta are presented. Thermally induced oxygen loss leads to a c-axis lattice expansion and an increase in resistivity in an LSFO film capped with GDC. In a three-terminal device where a gate bias is applied across the GDC layer to alter the LSFO oxygen stoichiometry, the ferrite channel is shown to undergo an order of magnitude change in resistance using gate voltages of less than 1 V applied at 500 K. The changes in resistance remain upon cooling to room temperature, in the absence of a gate bias, suggesting solid state ionic gating of perovskite oxides as a promising platform for applications in non-volatile, multistate devices. Along with the experiments of controlling delta in a device format, the kinetics of oxygen loss as a function of biaxial strain was investigated.

Analysis of the perovskite structure LaxSr1-xCryMn1-yO3-δ with potential application as an anode for solid oxide fuel cells

Energy Technology Data Exchange (ETDEWEB)

Alvarado Flores, J.J.

2017-07-01

Solid oxide fuel cells (SOFC) are complex devices that offer great advantages over conventional manner in which electrical energy is produced. Many of these advantages revolve around the environmental impact and particularly energy efficiency. However, progress in the field of these devices operating at high temperatures require the continuous search for new materials with advanced properties, optimization in manufacturing, cutting edge technologies for the processing of its main components (anode-electrolyte-cathode-seal) and low manufacturing costs. Here, the perovskite structure material LaxSr1-xCryMn1-yO3-δ (LSCM) is efficient, stable redox environments, has low manufacturing cost and is optimized for SOFC applications. Its properties compare favorably with the compound Ni/YSZ using hydrogen as a fuel; and when methane is used, it requires only 3% moisture to prevent carbon formation, which is much lower compared to when used Ni/YSZ (50% moisture). The LSCM material allows a SOFC cell operate at intermediate temperatures around 700°C. This article provides a brief review of the excellent properties and potential presented by this perovskite. (Author)

Effect of A-site deficiency in LaMn{sub 0.9}Co{sub 0.1}O{sub 3} perovskites on their catalytic performance for soot combustion

Energy Technology Data Exchange (ETDEWEB)

Dinamarca, Robinson [Department of Physical Chemistry, Faculty of Chemical Sciences, University of Concepción, Concepción (Chile); Garcia, Ximena; Jimenez, Romel [Department of Chemical Engineering, Faculty of Engineering, University of Concepción, Concepción (Chile); Fierro, J.L.G. [Instituto de Catálisis y Petroleoquímica, CSIC, Cantoblanco, 28049 Madrid (Spain); Pecchi, Gina, E-mail: gpecchi@udec.cl [Department of Physical Chemistry, Faculty of Chemical Sciences, University of Concepción, Concepción (Chile)

2016-09-15

Highlights: • A-site defective perovskites increases the oxidation state of the B-cation. • Not always non-stoichiometric perovskites exhibit higher catalytic activity in soot combustion. • The highly symmetric cubic crystalline structure diminishes the redox properties of perovskites. - Abstract: The influence of lanthanum stoichiometry in Ag-doped (La{sub 1-x}Ag{sub x}Mn{sub 0.9}Co{sub 0.1}O{sub 3}) and A-site deficient (La{sub 1-x}Mn{sub 0.9}Co{sub 0.1}O{sub 3-δ}) perovskites with x equal to 10, 20 and 30 at.% has been investigated in catalysts for soot combustion. The catalysts were prepared by the amorphous citrate method and characterized by XRD, nitrogen adsorption, XPS, O{sub 2}-TPD and TPR. The formation of a rhombohedral excess-oxygen perovskite for Ag-doped and a cubic perovskite structure for an A-site deficient series is confirmed. The efficient catalytic performance of the larger Ag-doped perovskite structure is attributed to the rhombohedral crystalline structure, Ag{sub 2}O segregated phases and the redox pair Mn{sup 4+}/Mn{sup 3+}. A poor catalytic activity for soot combustion was observed with A-site deficient perovskites, despite the increase in the redox pair Mn{sup 4+}/Mn{sup 3+}, which is attributed to the cubic crystalline structure.

Dendrimer ligands-capped CH3NH3PbBr3 perovskite nanocrystals with delayed halide exchange and record stability against both moisture and water

Science.gov (United States)

Xu, Yiren; Xu, Shuhong; Shao, Haibao; Jiang, Han; Cui, Yiping; Wang, Chunlei

2018-06-01

CH3NH3PbBr3 perovskite nanocrystals (NCs) suffer from poor stability because of their high sensitivity to environmental moisture and water. To solve this problem, previous works mainly focus on embedding perovskite NCs into water-resistant matrix to form large composites (size of microns or larger). As an alternative solution without serious changing of NC size, enhancing the stability of perovskite NCs themselves by ligand engineering is rarely reported. In this work, we used hyperbranched polyamidoamine (PAMAM) dendrimers with two different generations (G0 and G4) to synthesize CH3NH3PbBr3 perovskite NCs with high photoluminescence (PL) quantum yields (QY) above 70% and a new record stability. A novel dendrimers generation-dependent stability of perovskite NCs was observed. The water-resistance time is 18 h (27 h) for perovskite NCs capped by G0 (G4) generation of PAMAM, which is 7 times (11 times) longer than that of traditional oleic acid-capped NCs. Similar PAMAM generation-related stability is also observed in moisture-resistance tests. The stability time against moisture is 500 h (800 h) for G0 (G4) generation of PAMAM-capped perovskite NCs, which is a new record stability time against moisture for CH3NH3PbBr3 perovskite NCs. In addition, our results also indicate that PAMAM ligands outside perovskite NCs can dramatically slow down the speed of halide exchange. Even for the mixture of perovskite NCs with two different halide composition, the original luminescence properties of PAMAM-capped perovskite NCs can retain after mixing. In view of slow halide exchange speed, excellent water and moisture stability, PAMAM dendrimers-capped perovskite NCs and their mixture are available as color conversion single layer in fabrication of light-emitting diodes (LED).

Dendrimer ligands-capped CH3NH3PbBr3 perovskite nanocrystals with delayed halide exchange and record stability against both moisture and water.

Science.gov (United States)

Xu, Yiren; Xu, Shuhong; Shao, Haibao; Jiang, Han; Cui, Yiping; Wang, Chunlei

2018-06-08

CH 3 NH 3 PbBr 3 perovskite nanocrystals (NCs) suffer from poor stability because of their high sensitivity to environmental moisture and water. To solve this problem, previous works mainly focus on embedding perovskite NCs into water-resistant matrix to form large composites (size of microns or larger). As an alternative solution without serious changing of NC size, enhancing the stability of perovskite NCs themselves by ligand engineering is rarely reported. In this work, we used hyperbranched polyamidoamine (PAMAM) dendrimers with two different generations (G0 and G4) to synthesize CH 3 NH 3 PbBr 3 perovskite NCs with high photoluminescence (PL) quantum yields (QY) above 70% and a new record stability. A novel dendrimers generation-dependent stability of perovskite NCs was observed. The water-resistance time is 18 h (27 h) for perovskite NCs capped by G0 (G4) generation of PAMAM, which is 7 times (11 times) longer than that of traditional oleic acid-capped NCs. Similar PAMAM generation-related stability is also observed in moisture-resistance tests. The stability time against moisture is 500 h (800 h) for G0 (G4) generation of PAMAM-capped perovskite NCs, which is a new record stability time against moisture for CH 3 NH 3 PbBr 3 perovskite NCs. In addition, our results also indicate that PAMAM ligands outside perovskite NCs can dramatically slow down the speed of halide exchange. Even for the mixture of perovskite NCs with two different halide composition, the original luminescence properties of PAMAM-capped perovskite NCs can retain after mixing. In view of slow halide exchange speed, excellent water and moisture stability, PAMAM dendrimers-capped perovskite NCs and their mixture are available as color conversion single layer in fabrication of light-emitting diodes (LED).

A Direct Bandgap Copper-Antimony Halide Perovskite.

Science.gov (United States)

Vargas, Brenda; Ramos, Estrella; Pérez-Gutiérrez, Enrique; Alonso, Juan Carlos; Solis-Ibarra, Diego

2017-07-12

Since the establishment of perovskite solar cells (PSCs), there has been an intense search for alternative materials to replace lead and improve their stability toward moisture and light. As single-metal perovskite structures have yielded unsatisfactory performances, an alternative is the use of double perovskites that incorporate a combination of metals. To this day, only a handful of these compounds have been synthesized, but most of them have indirect bandgaps and/or do not have bandgaps energies well-suited for photovoltaic applications. Here we report the synthesis and characterization of a unique mixed metal ⟨111⟩-oriented layered perovskite, Cs 4 CuSb 2 Cl 12 (1), that incorporates Cu 2+ and Sb 3+ into layers that are three octahedra thick (n = 3). In addition to being made of abundant and nontoxic elements, we show that this material behaves as a semiconductor with a direct bandgap of 1.0 eV and its conductivity is 1 order of magnitude greater than that of MAPbI 3 (MA = methylammonium). Furthermore, 1 has high photo- and thermal-stability and is tolerant to humidity. We conclude that 1 is a promising material for photovoltaic applications and represents a new type of layered perovskite structure that incorporates metals in 2+ and 3+ oxidation states, thus significantly widening the possible combinations of metals to replace lead in PSCs.

Antimony doped barium strontium ferrite perovskites as novel cathodes for intermediate-temperature solid oxide fuel cells

Energy Technology Data Exchange (ETDEWEB)

Ling, Yihan, E-mail: lyhyy@mail.ustc.edu.cn [School of Materials Science and Engineering, China University of Mining and Technology, Xuzhou, 221116 (China); Lu, Xiaoyong [China Anhui Key Laboratory of Low Temperature Co-fired Materials, Department of Chemistry, Huainan Normal University, Huainan, Anhui, 232001 (China); Niu, Jinan; Chen, Hui [School of Materials Science and Engineering, China University of Mining and Technology, Xuzhou, 221116 (China); Ding, Yanzhi [China Anhui Key Laboratory of Low Temperature Co-fired Materials, Department of Chemistry, Huainan Normal University, Huainan, Anhui, 232001 (China); Ou, Xuemei [School of Materials Science and Engineering, China University of Mining and Technology, Xuzhou, 221116 (China); Zhao, Ling [Department of Material Science and Chemistry, China University of Geosciences, Wuhan, 430074 (China)

2016-05-05

Antimony was doped to barium strontium ferrite to produce ferrite-based perovskites with a composition of Ba{sub 0.5}Sr{sub 0.5}Fe{sub 1−x}Sb{sub x}O{sub 3−δ} (x = 0.0, 0.05, 0.1) as novel cathode materials for intermediate-temperature solid oxide fuel cells (IT-SOFCs). The perovskite properties including oxygen nonstoichiometry (δ), mean valence of B-site, tolerance factors, thermal expansion coefficient (TEC) and electrical conductivity (σ) are explored as a function of antimony content. By defect chemistry analysis, the TECs decrease since the variable oxygen vacancy concentration is decreased by Sb doping, and σ decreases with x due to the reduced charge concentration of Fe{sup 4+} content. Consequently, the electrochemical performance was substantially improved and the interfacial polarization resistance was reduced from 0.213 to 0.120 Ωcm{sup 2} at 700 °C with Sb doping. The perovskite with x = 1.0 is suggested as the most promising composition as SOFC cathode material. - Highlights: • Antimony is doped to barium strontium ferrite to produce novel cathodes. • δ, TECs and σ are evaluated as a function of antimony content. • The electrochemical performance is substantially improved with antimony doping.

Charge disproportionation in (X0.6Sr0.4)0.99Fe0.8Co0.2O3-δ perovskites (X = La, Pr, Sm, Gd)

DEFF Research Database (Denmark)

Pedersen, Thomas; Saadi, Souheil; Nielsen, K.H.

2005-01-01

The change in crystal structure and the oxidation state in iron of iron-cobalt-based perovskites with different A-site cations is investigated by the use of powder XRD and Mossbauer spectroscopy. The perovskites investigated are (X0.6Sr0.4)(0.99)Fe0.8Co0.2O3-delta, where X is La, Pr, Sm or Gd...

Synthesis and characterization of Co-doped lanthanum nickelate perovskites for solid oxide fuel cell cathode material

Energy Technology Data Exchange (ETDEWEB)

Chavez G, L.; Hinojosa R, M. [Universidad Autonoma de Nuevo Leon, Ciudad Universitaria, San Nicolas de los Garza, 66450 Nuevo Leon (Mexico); Medina L, B.; Ringuede, A.; Cassir, M. [Institut de Recherche de Chimie Paris, CNRS-Chimie ParisTech, 11 rue Pierre et Marie Curie, 75005 Paris (France); Vannier, R. N., E-mail: leonardo.chavezgr@uanl.edu.mx [Unite de Catalyse et de Chimie du Solide, UMR 8181 CNRS, 59655, Villeneuve d Ascq Cedex (France)

2017-11-01

In the perovskite structures widely investigated and used as solid oxide fuel cells cathodes, oxygen reduction is mainly limited to the triple phase boundary (TPB), where oxygen (air), electrode and electrolyte are in contact. It is possible via the sol-gel modified Pechini method to: 1) control the material grain size, which can increase TPBs, 2) produce a homogenous material and 3) obtain a cathode material in a faster way compared with the solid state route. LaNi{sub x}Co{sub 1-x}O{sub 3} (x = 0.3, 0.5, 0.7) were synthesized by the modified Pechini method. The perovskite phase formation began at 350 degrees Celsius and the presence of pure LaNi{sub 0.7}Co{sub 0.3}O{sub 3}, LaNi{sub 0.5}Co{sub 0.5}O{sub 3} and LaNi{sub 0.3}Co{sub 0.7}O{sub 3} structures was evidenced by high temperature X-ray diffraction (Ht-XRD) measurements. Scanning electron microscopy (Sem) micrographs showed that the microstructure evolves with the amount of cobalt from a coalesced to an open structure. Electrochemical impedance spectroscopy (EIS) on symmetrical cells LaNi{sub x}Co{sub 1-x}O{sub 3}/YSZ (Yttria-stabilized zirconia)/LaNi{sub x}Co{sub 1-x}O{sub 3} showed that the highest ASR (area specific resistance) is obtained with x = 0.3, whereas ASR values are similar for x = 0.5 and 0.7 at temperatures higher than 600 degrees Celsius. At temperatures lower than 600 degrees Celsius, ASR is the lowest for LaNi{sub 0.5}Co{sub 0.5}O{sub 3}, showing that this composition with intermediate porosity appears as a good choice for and intermediate-temperature solid oxid fuel cell. (Author)

Novel layered perovskite GdBaCoFeO{sub 5+{delta}} as a potential cathode for proton-conducting solid oxide fuel cells

Energy Technology Data Exchange (ETDEWEB)

Ding, Hanping; Xue, Xingjian [Department of Mechanical Engineering, University of South Carolina, Columbia, SC 29208 (United States)

2010-05-15

While cobalt-containing perovskite-type cathode materials facilitate the activation of oxygen reduction, they also suffer from problems like poor chemical stability in CO{sub 2}, high thermal expansion coefficients, etc. Partial B site substitution with Fe element is expected to be able to mitigate these problems while keeping high catalyst performance. In this paper, a layered perovskite GdBaCoFeO{sub 5+{delta}} (GBCF) was developed as a cathode material for protonic ceramic membrane fuel cells (PCMFCs) based on proton-conducting electrolyte of stable BaZr{sub 0.1}Ce{sub 0.7}Y{sub 0.2}O{sub 3-{delta}} (BZCY7). The button cells of Ni-BZCY7 vertical stroke BZCY7 vertical stroke GBCF were fabricated and tested from 600 to 700 C with humidified H{sub 2} ({proportional_to}3% H{sub 2}O) as a fuel and ambient oxygen as oxidant. An open-circuit potential of 1.002 V, maximum power density of 482 mW cm{sup -2}, and a low electrode polarization resistance of 0.11 {omega}cm{sup 2} were achieved at 700 C. The experimental results indicated that the layered perovskite GBCF is a good candidate for cathode material, while the developed Ni-BZCY7 vertical stroke BZCY7 vertical stroke GBCF cell is a promising functional material system for intermediate temperature solid oxide fuel cells. (author)

The electronic and optical properties of CH3NH3MoI3 perovskite

Science.gov (United States)

Kansara, Shivam; Sonvane, Yogesh; Gupta, Sanjeev K.

2018-05-01

In this work, a first-principles theoretical study of hybrid perovskite CH3NH3MoI3 is performed using PBE exchange-correlation approximations in density functional theory. The results of electronic band structure are 0.90 eV (M-point: Direct) and 0.60 eV (R-X point: Indirect), respectively. We have also calculated the dielectric properties such as real, imaginary, extension coefficient (K) and reflectivity (R) properties of hybrid perovskite CH3NH3MoI3. The low-bandgap molecules are used to absorb near-IR range and typically having a bandgap smaller than 1.6 eV. This is particularly attractive in organic photovoltaics (OPV), photodetectors (PDs), and ambipolar field-effect transistors (FETs).

High-mobility BaSnO{sub 3} grown by oxide molecular beam epitaxy

Energy Technology Data Exchange (ETDEWEB)

Raghavan, Santosh; Schumann, Timo; Kim, Honggyu; Zhang, Jack Y.; Cain, Tyler A.; Stemmer, Susanne, E-mail: stemmer@mrl.ucsb.edu [Materials Department, University of California, Santa Barbara, California 93106-5050 (United States)

2016-01-01

High-mobility perovskite BaSnO{sub 3} films are of significant interest as new wide bandgap semiconductors for power electronics, transparent conductors, and as high mobility channels for epitaxial integration with functional perovskites. Despite promising results for single crystals, high-mobility BaSnO{sub 3} films have been challenging to grow. Here, we demonstrate a modified oxide molecular beam epitaxy (MBE) approach, which supplies pre-oxidized SnO{sub x}. This technique addresses issues in the MBE of ternary stannates related to volatile SnO formation and enables growth of epitaxial, stoichiometric BaSnO{sub 3}. We demonstrate room temperature electron mobilities of 150 cm{sup 2} V{sup −1} s{sup −1} in films grown on PrScO{sub 3}. The results open up a wide range of opportunities for future electronic devices.

Enhancement of photoresponse property of perovskite solar cell by aluminium chloride (AlCl3)

Science.gov (United States)

Ghosh, S. S.; Sil, A.

2018-05-01

The fabrication of a three layer solar cell device is a new area of research. The formation of perovskite phase is evident from x-ray diffraction and its particle size is observed by microstructural analysis. A thin layer of gold coating over the device increases the surface conductivity. Direct contact between a SnCl2 or AlCl3 based perovskite with the gold coating increases the durability of the film but decreases the hole transport properties due to absence of an organic hole transport material. The absorbance spectroscopy analysis gives characteristic peaks showing the evidence of ITO, TiO2 (rutile) and Sn2+ complexes present in the Sn-perovskite film or Al3+ complexes present within the Al-perovskite cell. The desired absorbance near 550 nm due to Al3+ complexes causes a much higher flow of current on illumination and thus is also evidenced by the presence of comparatively high intensity PL spectra in the Al-perovskite system which occurred due to free exciton formation near band edge excitation. The fill factor of the devices is estimated as ∼0.83 and ∼0.65 for Sn-perovskite and Al-perovskite devices respectively. The PCE values of Sn-perovskite and Al-perovskite devices are calculated 0.39% and 0.96% respectively, which establish Al-perovskite film as a useful component for future solar cell device manufacturing.

Symmetry breaking and electrical conductivity of La0.7Sr0.3Cr0.4Mn0.6O3-δ perovskite as SOFC anode material

International Nuclear Information System (INIS)

Reyes-Rojas, A.; Alvarado-Flores, J.; Esparza-Ponce, H.; Esneider-Alcala, M.; Espitia-Cabrera, I.; Torres-Moye, E.

2011-01-01

Research highlights: → Perovskite-type La 0.7 Sr 0.3 Cr 0.4 Mn 0.6 O 3-δ -NiO nucleation kinetics. Symmetry-breaking by introducing Ni 2+ cations at 1050 deg. C. Phase transition from high temperature aristotype R3-bar c to hettotype I4/mmm. At low Ni concentration ρ resistivity decreases when increasing the temperature. For Ni concentration higher than 25% ρ resistivity increases. - Abstract: This work is focused on nanocrystalline solid oxide fuel cell synthesis and characterization (SOFC) anodes of La 0.7 Sr 0.3 Cr 0.4 Mn 0.6 O 3-δ (perovskite-type) with Nickel. Perovskite-type oxide chemical reactivity, nucleation kinetics and phase composition related with La 0.7 Sr 0.3 Cr 0.4 Mn 0.6 O 3-δ -NiO to La 0.7 Sr 0.3 Cr 0.4 Mn 0.6 O 3-δ -Ni transformation have been analyzed. SOFC anode powders were obtained by sol-gel synthesis, using polyvinyl alcohol as an organic precursor to get a porous cermet electrode after sintering at 1365 deg. C and oxide reduction by hydrogen at 800 deg. C/1050 deg. C for 8 h in a horizontal tubular reactor furnace under 10% H 2 /N 2 atmosphere. Composite powders were compressed into 10-mm diameter discs with 25-75 wt% Ni. Electrical and structural characterization by four-point probe method for conductivity, scanning electron microscopy (SEM), X-ray energy dispersive spectroscopy (EDS), X-ray diffraction (XRD), and Rietveld method were carried out. Symmetry-breaking by phase transition from high temperature aristotype R3-bar c to hettotype I4/mmm has been identified and confirmed by XRD and Rietveld method which can be produced by introducing Ni 2+ cations in the perovskite solid solution. Rietveld analysis suggests that Ni contents are directly proportional to La 0.7 Sr 0.3 Cr 0.4 Mn 0.6 NiO 3.95 tetragonal structure cell volume and inversely proportional to Ni cubic structure cell volume after reduction at 1050 deg. C. Kinetic analysis indicated that the Johnson-Mehl-Avrami equation is able to provide a good fit to phase

Synthesis and characterization of a-site doped LaTiO3 nano perovskites

International Nuclear Information System (INIS)

Bradha, M.; Ashok, Anuradha

2013-01-01

Nano-sized lanthanum titanate perovskites (La (1-x) A x TiO 3 ) (A= Ba, Sr, Ca) were prepared by sol-gel method and calcined at 800℃. The synthesised perovskites were characterized by Thermogravimetry/ Differential thermal analysis (TGA/DTA), X-ray diffraction (XRD) and High Resolution Transmission Electron Microscopy (HRTEM) etc. LaTiO 3 is a perovskite having prominent interest for a variety of applications such as dielectric, insulators, charge-transport properties etc. It is a defect perovskite, with transport properties varying from insulating to metallic based on oxygen stoichiometry. In a quest to observe the effect of the nano size on its properties, lanthanum titanate (LaTiO 3 ) nano perovskites with different dopants on the A-site were prepared by using sol-gel method. In the present work we discuss the synthesis and structural analysis of (La 0.8 A 0.2 TiO 3 ). Phase purity and structural analysis of the calcined samples were performed by powder X-ray diffraction (XRD, with CuKα radiation). In addition to this, morphology and crystal structure was examined by Transmission Electron Microscopy (TEM) using a JEOL JEM 2100 HRTEM. HRTEM studies indicate that the nano perovskites are of size around 20 nm. Ring pattern in SAED also confirms that the perovskite is polycrystalline/nanocrystalline. More detailed study on high resolution images and crystal structure shed light on the reason for the properties exhibited by this perovskites

Magnetic structure of post-perovskite compound CaIrO3

International Nuclear Information System (INIS)

Ohgushi, Kenya; Ohsumi, Hiroyuki; Yamaura, Jun-ichi; Arima, Taka-hisa

2014-01-01

We have performed resonant X-ray diffraction experiments at the Ir L absorption edges for a post-perovskite compound CaIrO 3 with a Ir 4+ : (t 2g ) 5 electronic configuration. By observing the magnetic signals, we could clearly see that the magnetic structure was a striped ordering with antiferromagnetic moments along the c axis and that the wave function of a t 2g hole is strongly spin-orbit entangled, the J eff = 1/2 state. The observed spin arrangement is consistent with a theoretical work predicting a unique superexchange interaction called the quantum compass model. Our studies stimulate further studies for developing novel quantum states in iridium oxides. (author)

Ultrathin Cu2O as an efficient inorganic hole transporting material for perovskite solar cells

KAUST Repository

Yu, Weili

2016-02-18

We demonstrate that ultrathin P-type Cu2O thin films fabricated by a facile thermal oxidation method can serve as a promising hole-transporting material in perovskite solar cells. Following a two-step method, inorganic-organic hybrid perovskite solar cells were fabricated and a power conversion efficiency of 11.0% was achieved. We find that the thickness and properties of Cu2O layers must be precisely tuned in order to achieve the optimal solar cell performance. The good performance of such perovskite solar cells can be attributed to the unique properties of ultrathin Cu2O, including high hole mobility, good energy level alignment with CH3NH3PbI3, and longer lifetime of photo-excited carriers. Combining merits of low cost, facile synthesis, and high device performance, ultrathin Cu2O films fabricated via thermal oxidation hold promise for facilitating the developments of industrial-scale perovskite solar cells.

DFT +U Modeling of Hole Polarons in Organic Lead Halide Perovskites

Science.gov (United States)

Welch, Eric; Erhart, Paul; Scolfaro, Luisa; Zakhidov, Alex

Due to the ever present drive towards improved efficiencies in solar cell technology, new and improved materials are emerging rapidly. Organic halide perovskites are a promising prospect, yet a fundamental understanding of the organic perovskite structure and electronic properties is missing. Particularly, explanations of certain physical phenomena, specifically a low recombination rate and high mobility of charge carriers still remain controversial. We theoretically investigate possible formation of hole polarons adopting methodology used for oxide perovskites. The perovskite studied here is the ABX3structure, with A being an organic cation, B lead and C a halogen; the combinations studied allow for A1,xA2 , 1 - xBX1,xX2 , 3 - xwhere the alloy convention is used to show mixtures of the organic cations and/or the halogens. Two organic cations, methylammonium and formamidinium, and three halogens, iodine, chlorine and bromine are studied. Electronic structures and polaron behavior is studied through first principle density functional theory (DFT) calculations using the Vienna Ab Initio Simulation Package (VASP). Local density approximation (LDA) pseudopotentials are used and a +U Hubbard correction of 8 eV is added; this method was shown to work with oxide perovskites. It is shown that a localized state is realized with the Hubbard correction in systems with an electron removed, residing in the band gap of each different structure. Thus, hole polarons are expected to be seen in these perovskites.

Oxygen rocking aqueous batteries utilizing reversible topotactic oxygen insertion/extraction in iron-based perovskite oxides Ca(1-x)La(x)FeO(3-δ).

Science.gov (United States)

Hibino, Mitsuhiro; Kimura, Takeshi; Suga, Yosuke; Kudo, Tetsuichi; Mizuno, Noritaka

2012-01-01

Developments of large-scale energy storages with not only low cost and high safety but also abundant metals are significantly demanded. While lithium ion batteries are the most successful method, they cannot satisfy all conditions. Here we show the principle of novel lithium-free secondary oxygen rocking aqueous batteries, in which oxygen shuttles between the cathode and anode composed of iron-based perovskite-related oxides Ca(0.5)La(0.5)FeO(z) (2.5 ≤ z ≤ 2.75 and 2.75 ≤ z ≤ 3.0). Compound Ca(0.5)La(0.5)FeO(z) can undergo two kinds of reduction and reoxidation of Fe(4+)/Fe(3+) and Fe(3+)/Fe(2+), that are accompanied by reversible and repeatable topotactic oxygen extraction and reinsertion during discharge and charge processes.

Synthesis of LaNiO{sub 3} perovskite by the modified proteic gel method and study of catalytic properties in the syngas production

Energy Technology Data Exchange (ETDEWEB)

Santos, Jose C.; Mesquita, Maria E.; Pedrosa, Anne M. Garrido, E-mail: annemgp@ufs.br, E-mail: annemgp@yahoo.com [Universidade Federal de Sergipe (UFS), Sao Cristovao, SE (Brazil). Departamento de Quimica e Engenharia Quimica; Souza, Marcelo J.B. [Universidade Federal de Sergipe (UFS), Sao Cristovao, SE (Brazil). Departamento de Engenharia Quimica; Ruiz, Juan A.C. [Centro de Tecnologias do Gas e Energias Renovaveis (CTGAS-ER), Natal, RN (Brazil). Laboratorio de Processamento do Gas; Melo, Dulce M.A. [Universidade Federal do Rio Grande do Norte (UFRN), Natal, RN (Brazil). Centro de Ciencias Exatas e da Terra. Depaertamento de Quimica

2012-10-15

This work describes a study on the synthesis of LaNiO{sub 3} perovskites via the modified proteic gel method, varying collagen content and on the catalytic activity of LaNiO{sub 3} and LaNiO{sub 3}/Al{sub 2}O{sub 3} in the syngas (CO + H{sub 2}) production. X-ray diffraction patterns revealed the formation of perovskite structure in all samples prepared by proteic gel synthesis method, varying collagen content and after calcination at 700 deg C for 2 h. LaNiO{sub 3}/Al{sub 2}O{sub 3} catalyst prepared by the impregnation method showed diffraction peaks due to the perovskite structure and to the support (Al{sub 2}O{sub 3}). This catalyst presented: specific surface of 46.1 m{sup 2} g{sup -1}, two reduction peaks in the temperature programmed reduction (TPR) profile and 46% of methane conversion (by the partial oxidation of methane using oxygen) after 18 h of reaction. (author)

CH3 NH3 PbBr3 Perovskite Nanocrystals as Efficient Light-Harvesting Antenna for Fluorescence Resonance Energy Transfer.

Science.gov (United States)

Muthu, Chinnadurai; Vijayan, Anuja; Nair, Vijayakumar C

2017-05-04

Hybrid perovskites have created enormous research interest as a low-cost material for high-performance photovoltaic devices, light-emitting diodes, photodetectors, memory devices and sensors. Perovskite materials in nanocrystal form that display intense luminescence due to the quantum confinement effect were found to be particularly suitable for most of these applications. However, the potential use of perovskite nanocrystals as a light-harvesting antenna for possible applications in artificial photosynthesis systems is not yet explored. In the present work, we study the light-harvesting antenna properties of luminescent methylammonium lead bromide (CH 3 NH 3 PbBr 3 )-based perovskite nanocrystals using fluorescent dyes (rhodamine B, rhodamine 101, and nile red) as energy acceptors. Our studies revealed that CH 3 NH 3 PbBr 3 nanocrystals are an excellent light-harvesting antenna, and efficient fluorescence resonance energy transfer occurs from the nanocrystals to fluorescent dyes. Further, the energy transfer efficiency is found to be highly dependent on the number of anchoring groups and binding ability of the dyes to the surface of the nanocrystals. These observations may have significant implications for perovskite-based light-harvesting devices and their possible use in artificial photosynthesis systems. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Calculated optical absorption of different perovskite phases

DEFF Research Database (Denmark)

Castelli, Ivano Eligio; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel

2015-01-01

We present calculations of the optical properties of a set of around 80 oxides, oxynitrides, and organometal halide cubic and layered perovskites (Ruddlesden-Popper and Dion-Jacobson phases) with a bandgap in the visible part of the solar spectrum. The calculations show that for different classes...... of perovskites the solar light absorption efficiency varies greatly depending not only on bandgap size and character (direct/indirect) but also on the dipole matrix elements. The oxides exhibit generally a fairly weak absorption efficiency due to indirect bandgaps while the most efficient absorbers are found...... in the classes of oxynitride and organometal halide perovskites with strong direct transitions....

Effects of GeI2 or ZnI2 addition to perovskite CH3NH3PbI3 photovoltaic devices

Science.gov (United States)

Tanaka, Hiroki; Ohishi, Yuya; Oku, Takeo

2018-01-01

CH3NH3PbI3 added with GeI2 or ZnI2 perovskite photovoltaic devices were fabricated characterized. The surface coverages of the perovskite layers were improved by the addition of GeI2 or ZnI2. Formation of PbI2 observed for the pristine CH3NH3PbI3 was suppressed by the GeI2 or ZnI2 addition, which resulted in the improvement of the conversion efficiencies of the perovskite photovoltaic devices.

The Effect of Solvents on the Performance of CH3NH3PbI3 Perovskite Solar Cells

Directory of Open Access Journals (Sweden)

Pao-Hsun Huang

2017-04-01

Full Text Available The properties of perovskite solar cells (PSCs fabricated using various solvents was studied. The devices had an indium tin oxide (ITO/poly(3,4-ethylenedioxythiophene: poly(styrenesulfonate (PEDOT:PSS/CH3NH3PbI3 (fabricated by using various solvents/fullerene (C60/bathocuproine (BCP/silver (Ag structure. The solvents used were dimethylformamide (DMF, γ-butyrolactone (GBL, dimethyl sulfoxide (DMSO, a mixture of DMSO and DMF (1:1 v/v, and a mixture of DMSO and GBL (DMSO: GBL, 1:1 v/v, respectively. The power conversion efficiency (PCE of the device fabricated using DMF is zero, which is attributed to the poor coverage of CH3NH3PbI3 film on the substrate. In addition, the PCE of the device made using GBL is only 1.74% due to the low solubility of PbI2 and CH3NH3I. In contrast, the PCE of the device fabricated using the solvents containing DMSO showed better performance. This is ascribed to the high solubilization properties and strong coordination of DMSO. As a result, a PCE of 9.77% was obtained using a mixed DMSO:GBL solvent due to the smooth surface, uniform film coverage on the substrate and the high crystallization of the perovskite structure. Finally, a mixed DMSO: DMF:GBL (5:2:3 v/v/v solvent that combined the advantages of each solvent was used to fabricate a device, leading to a further improvement of the PCE of the resulting PSC to 10.84%.

Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH3)3SnX3(X = Cl, Br)

KAUST Repository

Dang, Yangyang; Zhong, Cheng; Zhang, Guodong; Ju, Dianxing; Wang, Lei; Xia, Shengqing; Xia, Haibing; Tao, Xutang

2016-01-01

substitute for the lead in the halides perovskites and solving the ambiguous crystal structures and phase transition of NH(CH3)3SnX3 (X = Cl, Br). Here, we report the bulk crystal growths and different crystal morphologies of orthorhombic hybrid perovskites

Single-crystal perovskite CH3NH3PbBr3 prepared by cast capping method for light-emitting diodes

Science.gov (United States)

Nguyen, Van-Cao; Katsuki, Hiroyuki; Sasaki, Fumio; Yanagi, Hisao

2018-04-01

In this study, electroluminescence from single crystals of CH3NH3PbBr3 perovskite is explored. The cast capping method was applied to fabricate simple devices with an ITO/CH3NH3PbBr3/ITO structure. The devices showed a low operation voltage of 2 V and a pure green luminescence with full width at half maximum of ∼20 nm. However, the emission occurring at the crystal edges demonstrated blinking with a subsecond time interval, which is similar to the previously reported photoluminescence behavior of nanocrystal perovskites. This electroluminescence blinking may provide new insight into the recombination processes depending on the carrier traps and defects of emission layers in perovskite light-emitting devices.

Thermally induced A'-A site exchange in novel layered perovskites Ag2[Ca1.5M3O10] (M = Nb, Ta).

Science.gov (United States)

Bhuvanesh, Nattamai S P; Woodward, Patrick M

2002-12-04

We have synthesized and characterized new layered perovskites Ag2[A1.5M3O10] (A = Ca, M = Nb, Ta), from their lithium analogues, by soft-chemical ion exchange. These oxides show topotactic irreversible thermally induced A'-A site exchange, resulting in Ag1.1Ca0.9[Ca0.6Ag0.9M3O10], conferred from our high-temperature X-ray and ionic conductivity studies. The latter phases are the first compounds where Ag+ ions reside in both A' and A sites in layered perovskites. The absence of similar phase transition for A = Sr suggests that these transitions strongly depend on the size, charge, and the coordination preference of A' and A cations. This result provides a new synthetic tool for modifying the occupation of the 12-coordinate A site of layered perovskites using soft chemical routes.

Monochromatic and electrochemically switchable electrochemiluminescence of perovskite CsPbBr3 nanocrystals.

Science.gov (United States)

Huang, Yan; Fang, Mingxiang; Zou, Guizheng; Zhang, Bin; Wang, Huaisheng

2016-11-10

Cubic-shaped perovskite CsPbBr 3 nanocrystals (NCs) could be electrochemically injected with holes (or electrons) to produce several charged states under different oxidizing and reducing potentials, and then bring out electrochemiluminescence (ECL) of higher color purity than traditional ECL chemicals and metal chalcogenide NCs, in both annihilation and co-reactant routes. The difference of electrochemical gaps between varied hole and electron injecting potentials displayed little effect on the ECL spectrum and colour purity of CsPbBr 3 NCs. All the excited states generated under different oxidizing and reducing potential couples in ECL of CsPbBr 3 NCs were the same as those in photoluminescence, as all the ECL spectra were almost identical to the CsPbBr 3 NCs' photoluminescence spectrum. Importantly, the ECL of CsPbBr 3 NCs was electrochemically switchable and displayed an obvious "on/off" type feature by changing the sequence of hole injecting and electron injecting processes, as strong ECL could be obtained by injecting holes onto the electron injected NCs, while no or very weak ECL was obtained in the reversed way.

Jahn-Teller distortions, cation ordering and octahedral tilting in perovskites

International Nuclear Information System (INIS)

Lufaso, M.W.; Woodward, P.M.

2004-01-01

In transition metal oxides, preferential occupation of specific d orbitals on the transition metal ion can lead to the development of a long-range ordered pattern of occupied orbitals. This phenomenon, referred to as orbital ordering, is usually observed indirectly from the cooperative Jahn-Teller distortions (CJTDs) that result as a consequence of the orbital ordering. This paper examines the interplay between orbital ordering, octahedral tilting and cation ordering in perovskites. Both ternary AMX 3 perovskites containing an active Jahn-Teller (J-T) ion on the octahedral site and quaternary A 2 MM'X 6 perovskites containing a J-T ion on one-half of the octahedral sites have been examined. In AMX 3 perovskites, the tendency is for the occupied 3d 3x 2 -r 2 and 3d 3z 2 -r 2 orbitals to order in the ac plane, as exemplified by the crystal structures of LaMnO 3 and KCuF 3 . This arrangement maintains a favorable coordination environment for the anion sites. In AMX 3 perovskites, octahedral tilting tends to enhance the magnitude of the J-T distortions. In A 2 MM'X 6 perovskites, the tendency is for the occupied 3d 3z 2 -r 2 orbitals to align parallel to the c axis. This pattern maintains a favorable coordination environment about the symmetric M'-cation site. The orbital ordering found in rock-salt ordered A 2 MM'X 6 perovskites is compatible with octahedral rotations about the c axis (Glazer tilt system a 0 a 0 c - ) but appears to be incompatible with GdFeO 3 -type octahedral tilting (tilt system - b + a - ). (orig.)

Working Mechanism for Flexible Perovskite Solar Cells with Simplified Architecture.

Science.gov (United States)

Xu, Xiaobao; Chen, Qi; Hong, Ziruo; Zhou, Huanping; Liu, Zonghao; Chang, Wei-Hsuan; Sun, Pengyu; Chen, Huajun; De Marco, Nicholas; Wang, Mingkui; Yang, Yang

2015-10-14

In this communication, we report an efficient and flexible perovskite solar cell based on formamidinium lead trihalide (FAPbI3) with simplified configuration. The device achieved a champion efficiency of 12.70%, utilizing direct contact between metallic indium tin oxide (ITO) electrode and perovskite absorber. The underlying working mechanism is proposed subsequently, via a systematic investigation focusing on the heterojunction within this device. A significant charge storage has been observed in the perovskite, which is believed to generate photovoltage and serves as the driving force for charge transferring from the absorber to ITO electrode as well. More importantly, this simplified device structure on flexible substrates suggests its compatibility for scale-up fabrication, which paves the way for commercialization of perovskite photovoltaic technology.

Sequential deposition as a route to high-performance perovskite-sensitized solar cells

KAUST Repository

Burschka, Julian

2013-07-10

Following pioneering work, solution-processable organic-inorganic hybrid perovskites - such as CH 3 NH 3 PbX 3 (X = Cl, Br, I) - have attracted attention as light-harvesting materials for mesoscopic solar cells. So far, the perovskite pigment has been deposited in a single step onto mesoporous metal oxide films using a mixture of PbX 2 and CH 3 NH 3 X in a common solvent. However, the uncontrolled precipitation of the perovskite produces large morphological variations, resulting in a wide spread of photovoltaic performance in the resulting devices, which hampers the prospects for practical applications. Here we describe a sequential deposition method for the formation of the perovskite pigment within the porous metal oxide film. PbI 2 is first introduced from solution into a nanoporous titanium dioxide film and subsequently transformed into the perovskite by exposing it to a solution of CH 3 NH 3 I. We find that the conversion occurs within the nanoporous host as soon as the two components come into contact, permitting much better control over the perovskite morphology than is possible with the previously employed route. Using this technique for the fabrication of solid-state mesoscopic solar cells greatly increases the reproducibility of their performance and allows us to achieve a power conversion efficiency of approximately 15 per cent (measured under standard AM1.5G test conditions on solar zenith angle, solar light intensity and cell temperature). This two-step method should provide new opportunities for the fabrication of solution-processed photovoltaic cells with unprecedented power conversion efficiencies and high stability equal to or even greater than those of today\\'s best thin-film photovoltaic devices. © 2013 Macmillan Publishers Limited. All rights reserved.

Effect of Annealing Process on CH3NH3PbI3-XClX Film Morphology of Planar Heterojunction Perovskite Solar Cells with Optimal Compact TiO2 Layer

Directory of Open Access Journals (Sweden)

Dan Chen

2017-01-01

Full Text Available The morphology of compact TiO2 film used as an electron-selective layer and perovskite film used as a light absorption layer in planar perovskite solar cells has a significant influence on the photovoltaic performance of the devices. In this paper, the spin coating speed of the compact TiO2 is investigated in order to get a high-quality film and the compact TiO2 film exhibits pinhole- and crack-free films treated by 2000 rpm for 60 s. Furthermore, the effect of annealing process, including annealing temperature and annealing program, on CH3NH3PbI3-XClX film morphology is studied. At the optimal annealing temperature of 100°C, the CH3NH3PbI3-XClX morphology fabricated by multistep slow annealing method has smaller grain boundaries and holes than that prepared by one-step direct annealing method, which results in the reduction of grain boundary recombination and the increase of Voc. With all optimal procedures, a planar fluorine-doped tin oxide (FTO substrate/compact TiO2/CH3NH3PbI3-XClX/Spiro-MeOTAD/Au cell is prepared for an active area of 0.1 cm2. It has achieved a power conversion efficiency (PCE of 14.64%, which is 80.3% higher than the reference cell (8.12% PCE without optimal perovskite layer. We anticipate that the annealing process with optimal compact TiO2 layer would possibly become a promising method for future industrialization of planar perovskite solar cells.

Perovskite as a matrix for incorporation of long-lived radionuclides

International Nuclear Information System (INIS)

Chernyavskaya, N.E.; Ochkin, A.V.; Chizhevskaya, S.V.; Stefanovskij, S.V.

1998-01-01

SYNROC is titanate ceramics consisting mainly of zirconolite, perovskite, and hollandite, developed to immobilize high level waste. Perovskite is able to incorporate strontium, yttrium, and trivalent lanthanides and actinides. The main goal of the present work is leaching study of various radionuclides from perovskite. Samples of perovskite-rich ceramics were produced by cold pressing of oxide mixture followed by firing in resistive furnace at 1350 degC for 3 hours. For leaching tests, ceramic pellets were crushed and surface areas were measured using argon thermal desorption technique. Leach rate was measured by boiling in a Soxhlet apparatus for 5 hours. Leach rates in 0.1 M HNO 3 and NaCl solutions were measured by boiling with stirrer and reverse cooler. Leach rate was controlled with radioactive indicator technique. Density of the perovskite-rich ceramic samples prepared was about 75% of theoretical. From XRD examination, the target phase (perovskite) yield was found to be about 95 vol.%. Minor rutile (≤ 5 vol.%) was also present. Leach rate of 90 Sr from Sr-doped perovskites with specified composition Ca 1-x Sr x TiO 3 did not depend on x until certain x value. Leach rate of 90 Sr from control zirconolite sample was by one order of magnitude higher than from perovskite. Leach rates of 147 Pm, 238 Pu, and 241 Am from perovskite ceramics with nominal perovskite composition had the same order of magnitude (about 10 -4 g/(m 2 day)). Substitution of 5 at.% Ce for Ca and 5 at.% Al for Ti lowered leach rate of 238 Pu by a factor of 6. Leach rates of 90 Sr in 0.1 M HNO 3 and NaCl solutions were three and one orders of magnitude higher than in distilled water

Reversible Changes in Resistance of Perovskite Nickelate NdNiO3 Thin Films Induced by Fluorine Substitution.

Science.gov (United States)

Onozuka, Tomoya; Chikamatsu, Akira; Katayama, Tsukasa; Hirose, Yasushi; Harayama, Isao; Sekiba, Daiichiro; Ikenaga, Eiji; Minohara, Makoto; Kumigashira, Hiroshi; Hasegawa, Tetsuya

2017-03-29

Perovskite nickel oxides are of fundamental as well as technological interest because they show large resistance modulation associated with phase transition as a function of the temperature and chemical composition. Here, the effects of fluorine doping in perovskite nickelate NdNiO 3 epitaxial thin films are investigated through a low-temperature reaction with polyvinylidene fluoride as the fluorine source. The fluorine content in the fluorinated NdNiO 3-x F x films is controlled with precision by varying the reaction time. The fully fluorinated film (x ≈ 1) is highly insulating and has a bandgap of 2.1 eV, in contrast to NdNiO 3 , which exhibits metallic transport properties. Hard X-ray photoelectron and soft X-ray absorption spectroscopies reveal the suppression of the density of states at the Fermi level as well as the reduction of nickel ions (valence state changes from +3 to +2) after fluorination, suggesting that the strong Coulombic repulsion in the Ni 3d orbitals associated with the fluorine substitution drives the metal-to-insulator transition. In addition, the resistivity of the fluorinated films recovers to the original value for NdNiO 3 after annealing in an oxygen atmosphere. By application of the reversible fluorination process to transition-metal oxides, the search for resistance-switching materials could be accelerated.

Role of bromine doping on the photovoltaic properties and microstructures of CH{sub 3}NH{sub 3}PbI{sub 3} perovskite solar cells

Energy Technology Data Exchange (ETDEWEB)

Suzuki, Atsushi; Okada, Hiroshi; Oku, Takeo [Department of Materials Science, The University of Shiga Prefecture 2500 Hassaka, Hikone, Shiga, 522-8533 (Japan)

2016-02-01

Organic-inorganic hybrid heterojunction solar cells containing CH{sub 3}NH{sub 3}PbI{sub 3} perovskite compound were fabricated using mesoporous TiO{sub 2} as the electronic transporting layer and spirobifluorence as the hole-transporting layer. The purpose of the present study is to investigate role of bromine (Br) doping on the photovoltaic properties and microstructure of CH{sub 3}NH{sub 3}PbI{sub 3} perovskite solar cells. Photovoltaic, optical properties and microstructures of perovskite-based solar cells were investigated. The X-ray diffraction identified crystal structure of the perovskite layer doped with Br in the solar cell. Scanning electron microscopy observation showed a different behavior of surface morphology and the perovskite crystal structure on the TiO{sub 2} mesoporous structure depending on extent amount of hydrogen doping of Br. The role of bromide halogen doping on the perovskite crystal structure and photovoltaic properties was due to improvement of carrier mobility, optimization of electron structure, band gap related with the photovoltaic parameters of V{sub oc}, J{sub sc} and η. Energy diagram and photovoltaic mechanism of the perovskite solar cells varied with halogen doping was discussed by experimental results.

Annealing Effect on (FAPbI31−x(MAPbBr3x Perovskite Films in Inverted-Type Perovskite Solar Cells

Directory of Open Access Journals (Sweden)

Lung-Chien Chen

2016-09-01

Full Text Available This study determines the effects of annealing treatment on the structure and the optical and electronic behaviors of the mixed (FAPbI31−x(MAPbBr3x perovskite system. The experimental results reveal that (FAPbI31−x(MAPbBr3x (x ~ 0.2 is an effective light-absorbing material for use in inverted planar perovskite solar cells owing to its large absorbance and tunable band gap. Therefore, good band-matching between the (FAPbI31−x(MAPbBr3x and C60 in photovoltaic devices can be controlled by annealing at various temperatures. Accordingly, an inverted mixed perovskite solar cell with a record efficiency of 12.0% under AM1.5G irradiation is realized.

Fabrication of organic-inorganic perovskite thin films for planar solar cells via pulsed laser deposition

Energy Technology Data Exchange (ETDEWEB)

Liang, Yangang; Zhang, Xiaohang; Gong, Yunhui; Shin, Jongmoon; Wachsman, Eric D.; Takeuchi, Ichiro, E-mail: takeuchi@umd.edu [Department of Materials Science and Engineering, University of Maryland, College Park, Maryland 20740 (United States); Yao, Yangyi; Hsu, Wei-Lun; Dagenais, Mario [Department of Electrical and Computer Engineering, University of Maryland, College Park, Maryland 20740 (United States)

2016-01-15

We report on fabrication of organic-inorganic perovskite thin films using a hybrid method consisting of pulsed laser deposition (PLD) of lead iodide and spin-coating of methylammonium iodide. Smooth and highly crystalline CH{sub 3}NH{sub 3}PbI{sub 3} thin films have been fabricated on silicon and glass coated substrates with fluorine doped tin oxide using this PLD-based hybrid method. Planar perovskite solar cells with an inverted structure have been successfully fabricated using the perovskite films. Because of its versatility, the PLD-based hybrid fabrication method not only provides an easy and precise control of the thickness of the perovskite thin films, but also offers a straightforward platform for studying the potential feasibility in using other metal halides and organic salts for formation of the organic-inorganic perovskite structure.

Fabrication of organic-inorganic perovskite thin films for planar solar cells via pulsed laser deposition

Directory of Open Access Journals (Sweden)

Yangang Liang

2016-01-01

Full Text Available We report on fabrication of organic-inorganic perovskite thin films using a hybrid method consisting of pulsed laser deposition (PLD of lead iodide and spin-coating of methylammonium iodide. Smooth and highly crystalline CH3NH3PbI3 thin films have been fabricated on silicon and glass coated substrates with fluorine doped tin oxide using this PLD-based hybrid method. Planar perovskite solar cells with an inverted structure have been successfully fabricated using the perovskite films. Because of its versatility, the PLD-based hybrid fabrication method not only provides an easy and precise control of the thickness of the perovskite thin films, but also offers a straightforward platform for studying the potential feasibility in using other metal halides and organic salts for formation of the organic-inorganic perovskite structure.

Oxygen storage capacity and structural properties of Ni-doped LaMnO3 perovskites

International Nuclear Information System (INIS)

Ran, Rui; Wu, Xiaodong; Weng, Duan; Fan, Jun

2013-01-01

Graphical abstract: Dynamic OSC of (a) fresh and (b) aged LaMn 1−x Ni x O 3 perovskites (0.1 Hz). Aged condition: 1050 °C, 5 h, 7% steam in air. The LaMn 1−x Ni x O 3 perovskites exhibit considerable dynamic OSC in comparison to CeO 2 –ZrO 2 (CZ), even after 1050 °C hydrothermal ageing for 5 h. Highlights: •Ni-doped LaMnO 3 perovskites exhibit very large dynamic OSC and high oxygen storage rate. •Mn 4+ is favourable to the releasable oxygen. •Doping of Ni ions increase the Mn 4+ content and the oxygen vacancies. •Doping of Ni ions reduce the BO 6 distortion in the LaMnO 3 perovskites. -- Abstract: A series of Ni doped LaMnO 3 perovskites were prepared by a sol–gel method as oxygen storage materials. Powder X-ray diffraction (XRD), X-ray adsorption fine structure (XAFS), oxygen storage capacity (OSC) and H 2 -temperature program reduction (TPR) measurements were performed to investigate the OSC of the perovskites as well as the effects of Ni on the structural properties. The results showed that the Ni-doped LaMnO 3 perovskite exhibited very large dynamic OSC and high oxygen release rate, which provided a possibility to serve as an oxygen storage material candidate in three-way catalysts. The available oxygen species below 500 °C primarily originated from the redox reaction between Mn 4+ and Mn 3+ , and the more Mn 4+ were favourable to the releasable oxygen. The doping of appropriate Ni ions promoted the OSC of the LaMnO 3 perovskites by increasing the Mn 4+ content and adjusting the structural defects. On the other hand, the doped Ni ions could make the BO 6 distortion disappearing in the LaMnO 3 perovskites to reduce the lattice oxygen activity

Using Low Temperature Photoluminescence Spectroscopy to Investigate CH3NH3PbI3 Hybrid Perovskite Degradation

Directory of Open Access Journals (Sweden)

Khaoula Jemli

2016-07-01

Full Text Available Investigating the stability and evaluating the quality of the CH3NH3PbI3 perovskite structures is quite critical both to the design and fabrication of high-performance perovskite devices and to fundamental studies of the photophysics of the excitons. In particular, it is known that, under ambient conditions, CH3NH3PbI3 degrades producing some PbI2. We show here that low temperature Photoluminescence (PL spectroscopy is a powerful tool to detect PbI2 traces in hybrid perovskite layers and single crystals. Because PL spectroscopy is a signal detection method on a black background, small PbI2 traces can be detected, when other methods currently used at room temperature fail. Our study highlights the extremely high stability of the single crystals compared to the thin layers and defects and grain boundaries are thought to play an important role in the degradation mechanism.

A perovskite oxide with high conductivities in both air and reducing atmosphere for use as electrode for solid oxide fuel cells

Science.gov (United States)

Lan, Rong; Cowin, Peter I.; Sengodan, Sivaprakash; Tao, Shanwen

2016-08-01

Electrode materials which exhibit high conductivities in both oxidising and reducing atmospheres are in high demand for solid oxide fuel cells (SOFCs) and solid oxide electrolytic cells (SOECs). In this paper, we investigated Cu-doped SrFe0.9Nb0.1O3-δ finding that the primitive perovskite oxide SrFe0.8Cu0.1Nb0.1O3-δ (SFCN) exhibits a conductivity of 63 Scm-1and 60 Scm-1 at 415 °C in air and 5%H2/Ar respectively. It is believed that the high conductivity in 5%H2/Ar is related to the exsolved Fe (or FeCu alloy) on exposure to a reducing atmosphere. To the best of our knowledge, the conductivity of SrFe0.8Cu0.1Nb0.1O3-δ in a reducing atmosphere is the highest of all reported oxides which also exhibit a high conductivity in air. Fuel cell performance using SrFe0.8Cu0.1Nb0.1O3-δ as the anode, (Y2O3)0.08(ZrO2)0.92 as the electrolyte and La0.8Sr0.2FeO3-δ as the cathode achieved a power density of 423 mWcm-2 at 700 °C indicating that SFCN is a promising anode for SOFCs.

Stable, easily sintered BaCe{sub 0.5}Zr{sub 0.3}Y{sub 0.16}Zn{sub 0.04}O{sub 3-{delta}} electrolyte-based protonic ceramic membrane fuel cells with Ba{sub 0.5}Sr{sub 0.5}Zn{sub 0.2}Fe{sub 0.8}O{sub 3-{delta}} perovskite cathode

Energy Technology Data Exchange (ETDEWEB)

Lin, Bin; Hu, Mingjun; Ma, Jianjun; Meng, Guangyao [Department of Materials Science and Engineering, University of Science and Technology of China (USTC), 96 Jinzhai Road, Hefei, Anhui 230026 (China); Jiang, Yinzhu [Department of Materials Science and Engineering, University of Science and Technology of China (USTC), 96 Jinzhai Road, Hefei, Anhui 230026 (China); Department of Chemistry, School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh EH14 4AS (United Kingdom); Tao, Shanwen [Department of Chemistry, School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh EH14 4AS (United Kingdom)

2008-09-01

A stable, easily sintered perovskite oxide BaCe{sub 0.5}Zr{sub 0.3}Y{sub 0.16}Zn{sub 0.04}O{sub 3-{delta}} (BCZYZn) as an electrolyte for protonic ceramic membrane fuel cells (PCMFCs) with Ba{sub 0.5}Sr{sub 0.5}Zn{sub 0.2}Fe{sub 0.8}O{sub 3-{delta}} (BSZF) perovskite cathode was investigated. The BCZYZn perovskite electrolyte synthesized by a modified Pechini method exhibited higher sinterability and reached 97.4% relative density at 1200 C for 5 h in air, which is about 200 C lower than that without Zn dopant. By fabricating thin membrane BCZYZn electrolyte (about 30 {mu}m in thickness) on NiO-BCZYZn anode support, PCMFCs were assembled and tested by selecting stable BSZF perovskite cathode. An open-circuit potential of 1.00 V, a maximum power density of 236 mW cm{sup -2}, and a low polarization resistance of the electrodes of 0.17 {omega} cm{sup 2} were achieved at 700 C. This investigation indicated that proton conducting electrolyte BCZYZn with BSZF perovskite cathode is a promising material system for the next generation solid oxide fuel cells. (author)

Oxygen rocking aqueous batteries utilizing reversible topotactic oxygen insertion/extraction in iron-based perovskite oxides Ca1–xLaxFeO3−δ

Science.gov (United States)

Hibino, Mitsuhiro; Kimura, Takeshi; Suga, Yosuke; Kudo, Tetsuichi; Mizuno, Noritaka

2012-01-01

Developments of large-scale energy storages with not only low cost and high safety but also abundant metals are significantly demanded. While lithium ion batteries are the most successful method, they cannot satisfy all conditions. Here we show the principle of novel lithium-free secondary oxygen rocking aqueous batteries, in which oxygen shuttles between the cathode and anode composed of iron-based perovskite-related oxides Ca0.5La0.5FeOz (2.5 ≤ z ≤ 2.75 and 2.75 ≤ z ≤ 3.0). Compound Ca0.5La0.5FeOz can undergo two kinds of reduction and reoxidation of Fe4+/Fe3+ and Fe3+/Fe2+, that are accompanied by reversible and repeatable topotactic oxygen extraction and reinsertion during discharge and charge processes. PMID:22924108

A-Site Deficient (Pr0.6Sr0.4)(1-s)Fe0.8Co0.2O3-delta Perovskites as Solid Oxide Fuel Cell Cathodes

DEFF Research Database (Denmark)

Kammer Hansen, Kent

2009-01-01

Five A-site deficient (Pr0.6Sr0.4)1−sFe0.8Co0.2O3− perovskites (s=0.01, 0.05, 0.10, 0.15, and 0.20) were synthesized using the glycine-nitrate process. The perovskites were characterized with powder X-ray diffraction (XRD), dilatometry, four-point dc conductivity measurements, and electrochemical...... resistance more than 3 times lower than the weakly A-site deficient (Pr0.6Sr0.4)0.99Fe0.8Co0.2O3− perovskite. ©2009 The Electrochemical Society...

Neutral- and Multi-Colored Semitransparent Perovskite Solar Cells.

Science.gov (United States)

Lee, Kyu-Tae; Guo, L Jay; Park, Hui Joon

2016-04-11

In this review, we summarize recent works on perovskite solar cells with neutral- and multi-colored semitransparency for building-integrated photovoltaics and tandem solar cells. The perovskite solar cells exploiting microstructured arrays of perovskite "islands" and transparent electrodes-the latter of which include thin metallic films, metal nanowires, carbon nanotubes, graphenes, and transparent conductive oxides for achieving optical transparency-are investigated. Moreover, the perovskite solar cells with distinctive color generation, which are enabled by engineering the band gap of the perovskite light-harvesting semiconductors with chemical management and integrating with photonic nanostructures, including microcavity, are discussed. We conclude by providing future research directions toward further performance improvements of the semitransparent perovskite solar cells.

Evolution of Photoluminescence, Raman, and Structure of CH3NH3PbI3 Perovskite Microwires Under Humidity Exposure

Science.gov (United States)

Segovia, Rubén; Qu, Geyang; Peng, Miao; Sun, Xiudong; Shi, Hongyan; Gao, Bo

2018-03-01

Self-assembled organic-inorganic CH3NH3PbI3 perovskite microwires (MWs) upon humidity exposure along several weeks were investigated by photoluminescence (PL) spectroscopy, Raman spectroscopy, and X-ray diffraction (XRD). We show that, in addition to the common perovskite decomposition into PbI2 and the formation of a hydrated phase, humidity induced a gradual PL redshift at the initial weeks that is stabilized for longer exposure ( 21 nm over the degradation process) and an intensity enhancement. Original perovskite Raman band and XRD reflections slightly shifted upon humidity, indicating defects formation and structure distortion of the MWs crystal lattice. By correlating the PL, Raman, and XRD results, it is believed that the redshift of the MWs PL emission was originated from the structural disorder caused by the incorporation of H2O molecules in the crystal lattice and radiative recombination through moisture-induced subgap trap states. Our study provides insights into the optical and structural response of organic-inorganic perovskite materials upon humidity exposure.

Composition-dependent emission linewidth broadening in lead bromide perovskite (APbBr3, A = Cs and CH3NH3) nanoparticles.

Science.gov (United States)

Ham, Sujin; Chung, Heejae; Kim, Tae-Woo; Kim, Jiwon; Kim, Dongho

2018-02-01

Lead halide perovskite nanoparticles (NPs) are attractive as they exhibit excellent color purity and have a tunable band gap, and can thus be applied in highly efficient photovoltaic and light-emitting diodes. Fundamental studies of emission linewidth broadening due to spectral shifts in perovskite NPs may suggest a way to improve their color purity. However, the carrier-induced Stark shift that causes spectral diffusion still requires investigation. In this study, we explore composition-related emission linewidth broadening by comparing CsPbBr3 and CH 3 NH 3 PbBr 3 (MAPbBr3) perovskite NPs. We find that the MAPbBr3 NPs are more sensitive to fluctuations in the local electric fields than the CsPbBr3 NPs due to an intrinsic difference in the dipole moment between the two A cations (Cs and MA), which shows a carrier-induced Stark shift. The results indicate that the compositions of perovskite NPs are closely associated with emission linewidth broadening and they also provide insights into the development of NP-based devices with high color purity.

Perovskite structures in the formation of nano-rods in REBa2Cu3O7-δ films self-organization to perovskite structures

International Nuclear Information System (INIS)

Mukaida, Masashi; Kai, Hideki; Shingai, Yuki

2009-01-01

Cubic perovskite structure has been found to play an important role for the nano-rod formation in REBa 2 Cu 3 O 7-δ films. BaWO 4 , with a sheelite structure, and BaNb 2 O 6 , with a tungsten bronze structure, were doped into REBa 2 Cu 3 O 7-δ targets. Laser-deposited, these materials form nano-rods in REBa 2 Cu 3 O 7-δ films accompanied by Ln elements, resulting in the composition of a pseudo-cubic perovskite structure. This was confirmed by selected area electron diffraction patterns (SADP) and composition mapping using energy-dispersive X-ray spectroscopy scanning transmission electron microscope (EDS-STEM) analysis. BaWO 4 with a sheelite structure, and BaNb 2 O 6 with a tungsten bronze structure, doped into targets no longer retain their structures, but can form pseudo-cubic perovskite structures in laser-deposited REBa 2 Cu 3 O 7-δ films. The perovskite crystal structure is thought to be important for nano-rod formation in the laser deposited REBa 2 Cu 3 O 7-δ film. (author)

Multiferroic Double Perovskites ScFe1-xCrxO3 (1 /6 ≤x ≤5 /6 ) for Highly Efficient Photovoltaics and Spintronics

Science.gov (United States)

Cai, Tian-Yi; Liu, Shi-Chen; Ju, Sheng; Liu, Cheng-You; Guo, Guang-Yu

2017-09-01

Ferroelectric oxides are attractive materials for constructing efficient solar cells. Nevertheless, a wide band gap of nearly 3.0 eV in these ferroelectric oxides would result in poor overall sunlight absorption and, hence, low energy conversion efficiency. Here, by systematic first-principles density-functional calculations, we demonstrate that double-perovskite semiconductors ScFe1-xCrxO3 (1 /6 ≤x ≤5 /6 ) with a narrow band gap of approximately 1.8 eV would simultaneously exhibit large ferroelectric polarization (100 μ C /cm2 ) and ferrimagnetic magnetization (170 emu/cm3 ). Within a Schottky-based model for a typical sandwich solar-cell structure, a power-conversion efficiency of 9.0% can be reached by neglecting all other sources of photovoltaicity in ferroelectric materials. This value is larger than the largest value of 8.1% observed in ferroelectric oxides. Furthermore, these double perovskites are found to be single-spin semiconductors, and the obtained photocurrent is fully spin polarized over almost the entire Sun spectrum. These fascinating advantages would make ScFex Cr1 -xO3 (1 /6 ≤x ≤5 /6 ) semiconductors promising candidates for highly efficient solar cells and spin photovoltaic devices.

Perovskites synthesis to SOFC anodes

International Nuclear Information System (INIS)

Wendler, L.P.; Chinelatto, A.L.; Chinelatto, A.S.A.; Ramos, K.

2012-01-01

Perovskite structure materials containing lanthanum have been widely applied as solid oxide fuel cells (SOFCs) electrodes, due to its electrical properties. Was investigated the obtain of the perovskite structure LaCr 0,5 Ni 0,5 O 3 , by Pechini method, and its suitability as SOFC anode. The choice of this composition was based on the stability provided by chromium and the catalytic properties of nickel. After preparing the resins, the samples were calcined at 300 deg C, 600 deg C, 700 deg C and 850 deg C. The resulting powders were characterized by X-ray diffraction to determine the existing phases. Furthermore, were performed other analysis, like X-ray fluorescence, He pycnometry, specific surface area by BET isotherm and scanning electronic microscopy (author)

Incorporation effect of nanosized perovskite LaFe₀.₇Co₀.₃O₃ on the electrochemical activity of Pt nanoparticles-multi walled carbon nanotube composite toward methanol oxidation

Energy Technology Data Exchange (ETDEWEB)

Noroozifar, Meissam, E-mail: mnoroozifar@chem.usb.ac.ir [Department of Chemistry, University of Sistan and Baluchestan, PO Box 98155-147, Zahedan (Iran, Islamic Republic of); Khorasani-Motlagh, Mozhgan; Khaleghian-Moghadam, Roghayeh; Ekrami-Kakhki, Mehri-Saddat; Shahraki, Mohammad [Department of Chemistry, University of Sistan and Baluchestan, PO Box 98155-147, Zahedan (Iran, Islamic Republic of)

2013-05-01

Nanosized perovskite LaFe₀.₇Co₀.₃O₃ (LFCO) is synthesized through conventional co-precipitation method and characterized by X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive X-ray (EDX) techniques. The incorporation effect of the mentioned perovskite to catalytic activity of the PtNPs-MWCNTs-nafion (or -chitosan) catalyst toward methanol oxidation has been studied by cyclic voltammetry. Based on the electrochemical studies, all MWCNTs-PtNPs-nafion (or chitosan) and MWCNTs-PtNPs-LFCO-nafion (or chitosan) catalysts show a considerable activity for methanol oxidation. However, a synergistic effect is observed when LFCO is added to the catalyst by decreasing the poisoning rate of the Pt catalyst. - Graphical abstract: Nanosized perovskite LaFe₀.₇Co₀.₃O₃ is synthesized and characterized. The incorporation effect of the mentioned perovskite to catalytic activity of the PtNPS-MWCNTs-nafion (or -chitosan) catalyst toward methanol oxidation is studied. Highlights: • Nanocrystalline LaFe₀.₇Co₀.₃O₃ (LFCO) is prepared by a new simple co-precipitation method. • Effect of LFCO to catalytic activity of PtNPS for methanol oxidation is studied. • A synergistic effect is observed when LFCO is added to the Pt catalyst. • Oxygen of LFCO could be considered as active oxygen to remove CO intermediates.

Reversible modulation of CsPbBr3 perovskite nanocrystal/gold nanoparticle heterostructures.

Science.gov (United States)

Chen, Shanshan; Lyu, Danya; Ling, Tao; Guo, Weiwei

2018-04-19

A facile strategy is illustrated to reversibly modulate CsPbBr3 perovskite nanocrystal/Au nanoparticle heterostructures with the reversible formation and fragmentation of gold nanoparticles anchored to the corners and surface of CsPbBr3 perovskite nanocrystals. The modulation process was performed under ambient conditions and could be conducted for cycles.

Synthesis and Characterization of Perovskite Type La1-xSrxAlO3-sigma(0<=X<=0.3) by Co-Precipitation Method

International Nuclear Information System (INIS)

Mahmoud, O.; Abderezak, G.

2015-01-01

This work shows the electrochemical activity of O/sub 2/ evolution reaction in KOH of perovskite type- aluminate oxide (La/sub 1-x/Sr/sub x/AlO/sub 3-sigma/ with x = 0, 0.1, 0.2, 0.3). La/sub 1-x/Sr/sub x/AlO/sub 3-sigma/ (03) was prepared by co-precipitation method. The white precipitates were then washed in distilled water by centrifugation, and calcined at 1000/degree C/ for 6h, the pure phase was characterized by X-ray diffraction (XRD), thermal gravimetric analysis and differential thermal (TG/DSC), Fourier transform infrared spectroscopy (FTIR), specific surface area (BET). The MEB micrographs are shown of the spherical grains and uniform agglomeration of the grains. The oxide powders were used as the films to form a support on Ni/oxides. Oxygen evolution on each oxide catalyst was signed in the cyclic voltammetry with +- 15 V range and the electrochemical impedance in the equivalent of 100 kHz. The results point out the electrode activity and stability of the x = 0.3 composition. (author)

Magnetic properties of Pr ions in perovskite-type oxides

International Nuclear Information System (INIS)

Sekizawa, K.; Kitagawa, M.; Takano, Y.

1998-01-01

Magnetic properties of Pr ions with the controlled valence on the A and B sites of perovskite-type oxides (ABO 3 ) were investigated for two systems. PrSc 1-x Mg x O 3 and BaPr 1-x Bi x O 3 . From the magnetic susceptibility χ versus temperature T curves of PrSc 1-x Mg x O 3 , the χ-T curve for molar Pr 3+ ions on the A site and that of Pr 4+ ions were obtained. The 1/χ-T curves for both ions exhibit the crystalline electric field (CEF) effect and the effective magneticmoment μ eff above 100 K is 3.41 μ B for Pr 3- and 2.58 μ B for Pr 4+ , respectively. The χ-T curve of PrSc 0.8 Mg 0.2 O 3 is similar to that of PrBa 2 Cu 3 O y . In the BaPr 1-x Bi x O 3 system, only one intermediate phase BaPr 0.5 Bi 0.5 O 3 exists, in which Pr and Bi take an ordered arrangement on the B site. The magnetic susceptibility χ for Pr 4+ and that of Pr 3+ in the ordered arrangement with Bi 5- on the B site are much smaller than those for the A site, reflecting the strong CEF effect on the B site. Experimental χ-T curves can be well reproducedby the numerical calculation for Pr 3+ or Pr 4+ ions in the molecular field and the CEF with proper respective parameters. (orig.)

Copper-substituted perovskite compositions for solid oxide fuel cell cathodes and oxygen reduction electrodes in other electrochemical devices

Science.gov (United States)

Rieke, Peter C [Pasco, WA; Coffey, Gregory W [Richland, WA; Pederson, Larry R [Kennewick, WA; Marina, Olga A [Richland, WA; Hardy, John S [Richland, WA; Singh, Prabhaker [Richland, WA; Thomsen, Edwin C [Richland, WA

2010-07-20

The present invention provides novel compositions that find advantageous use in making electrodes for electrochemical cells. Also provided are electrochemical devices that include active oxygen reduction electrodes, such as solid oxide fuel cells, sensors, pumps and the like. The compositions comprises a copper-substituted ferrite perovskite material. The invention also provides novel methods for making and using the electrode compositions and solid oxide fuel cells and solid oxide fuel cell assemblies having cathodes comprising the compositions.

High-Performance CH3NH3PbI3-Inverted Planar Perovskite Solar Cells with Fill Factor Over 83% via Excess Organic/Inorganic Halide.

Science.gov (United States)

Jahandar, Muhammad; Khan, Nasir; Lee, Hang Ken; Lee, Sang Kyu; Shin, Won Suk; Lee, Jong-Cheol; Song, Chang Eun; Moon, Sang-Jin

2017-10-18

The reduction of charge carrier recombination and intrinsic defect density in organic-inorganic halide perovskite absorber materials is a prerequisite to achieving high-performance perovskite solar cells with good efficiency and stability. Here, we fabricated inverted planar perovskite solar cells by incorporation of a small amount of excess organic/inorganic halide (methylammonium iodide (CH 3 NH 3 I; MAI), formamidinium iodide (CH(NH 2 ) 2 I; FAI), and cesium iodide (CsI)) in CH 3 NH 3 PbI 3 perovskite film. Larger crystalline grains and enhanced crystallinity in CH 3 NH 3 PbI 3 perovskite films with excess organic/inorganic halide reduce the charge carrier recombination and defect density, leading to enhanced device efficiency (MAI+: 14.49 ± 0.30%, FAI+: 16.22 ± 0.38% and CsI+: 17.52 ± 0.56%) compared to the efficiency of a control MAPbI 3 device (MAI: 12.63 ± 0.64%) and device stability. Especially, the incorporation of a small amount of excess CsI in MAPbI 3 perovskite film leads to a highly reproducible fill factor of over 83%, increased open-circuit voltage (from 0.946 to 1.042 V), and short-circuit current density (from 18.43 to 20.89 mA/cm 2 ).

Preparation and characterization of the perovskite catalysts : activity studies for diesel surrogate (dodecane) reforming

Energy Technology Data Exchange (ETDEWEB)

Kondakindi, R.; Kundu, A.; Karan, K.; Peppley, B. [Queen' s-RMC Fuel Cell Research Centre, Kingston, ON (Canada)

2009-07-01

Canada's northern communities rely on diesel fuel for generating electricity. The process of converting diesel to electricity in internal combustion engines is not efficient and generates significant amounts of unwanted products. This paper presented an alternative process whereby diesel is reformed into hydrogen-rich reformate which can then be fed to a solid oxide fuel cell. This alternative process converts energy more efficiently and eliminates the formation of nitrogen oxides (NOx) and soot. This study focused on the development of LaFeO{sub 3} based perovskite catalysts for diesel reforming. The activity of the perovskite catalysts was assessed for steam reforming of dodecane, a surrogate for diesel. In order to study the effect on catalytic activity, various perovskite materials were prepared by doping the perovskite at A-site to minimize the coke deposition and at B-site to improve the activity. Preliminary results for dodecane reforming for selected perovskites were promising. Additional testing is underway regarding catalyst activity and stability studies as well carbon and sulphur poisoning.

Interplay between organic cations and inorganic framework and incommensurability in hybrid lead-halide perovskite CH3NH3PbBr3

Science.gov (United States)

Guo, Yinsheng; Yaffe, Omer; Paley, Daniel W.; Beecher, Alexander N.; Hull, Trevor D.; Szpak, Guilherme; Owen, Jonathan S.; Brus, Louis E.; Pimenta, Marcos A.

2017-09-01

Organic-inorganic coupling in the hybrid lead-halide perovskite is a central issue in rationalizing the outstanding photovoltaic performance of these emerging materials. Here, we compare and contrast the evolution of the structure and dynamics of hybrid CH3NH3PbBr3 and inorganic CsPbBr3 lead-halide perovskites with temperature, using Raman spectroscopy and single-crystal x-ray diffraction. Results reveal a stark contrast between their order-disorder transitions, which are abrupt for the hybrid whereas smooth for the inorganic perovskite. X-ray diffraction observes an intermediate incommensurate phase between the ordered and the disordered phases in CH3NH3PbBr3 . Low-frequency Raman scattering captures the appearance of a sharp soft mode in the incommensurate phase, ascribed to the theoretically predicted amplitudon mode. Our work highlights the interaction between the structural dynamics of organic cation CH3NH3+ and the lead-halide framework, and unravels the competition between tendencies for the organic and inorganic moieties to minimize energy in the incommensurate phase of the hybrid perovskite structure.

Conductivity of CH{sub 3}NH{sub 3}PbI{sub 3} thin film perovskite stored in ambient atmosphere

Energy Technology Data Exchange (ETDEWEB)

Gebremichael, Bizuneh, E-mail: bizunehme@gmail.com [Physics Department, Addis Ababa University, Addis Ababa, P.O. Box 1176 (Ethiopia); Alemu, Getachew [Physics Department, Addis Ababa University, Addis Ababa, P.O. Box 1176 (Ethiopia); Tessema Mola, Genene [School of Chemistry & Physics, University of KwaZulu-Nat al, Pietermaritzburg Campus, Private Bag X01, Scottsville 3209 (South Africa)

2017-06-01

Time dependent conductivity loss in CH{sub 3}NH{sub 3}PbI{sub 3} thin film perovskite stored in ambient atmosphere were studied based on electrical and optical measurements. Recent investigations on thin film perovskite solar cell suggest that in the steady state operation of the device, the V{sub oc} is unchanged by continuous illumination of light. Rather the reduction in the power conversion efficiency is caused by significant reduction of the short circuit current (J{sub sc}). In this paper, the effect of light on the optical absorption and electrical conductivity of the CH{sub 3}NH{sub 3}PbI{sub 3} thin film which is deposited on a glass substrate is investigated. The temperature dependent conductivity measurements indicated that the dominant conduction mechanism in the film perovskite is electronic rather than ionic.

Thermal Stability-Enhanced and High-Efficiency Planar Perovskite Solar Cells with Interface Passivation.

Science.gov (United States)

Zhang, Weihai; Xiong, Juan; Jiang, Li; Wang, Jianying; Mei, Tao; Wang, Xianbao; Gu, Haoshuang; Daoud, Walid A; Li, Jinhua

2017-11-08

As the electron transport layer (ETL) of perovskite solar cells, oxide semiconductor zinc oxide (ZnO) has been attracting great attention due to its relatively high mobility, optical transparency, low-temperature fabrication, and good environment stability. However, the nature of ZnO will react with the patron on methylamine, which would deteriorate the performance of cells. Although many methods, including high-temperature annealing, doping, and surface modification, have been studied to improve the efficiency and stability of perovskite solar cells with ZnO ETL, devices remain relatively low in efficiency and stability. Herein, we adopted a novel multistep annealing method to deposit a porous PbI 2 film and improved the quality and uniformity of perovskite films. The cells with ZnO ETL were fabricated at the temperature of perovskite film. Interestingly, the PCE of PCBM-passivated cells could reach nearly 19.1%. To our best knowledge, this is the highest PCE value of ZnO-based perovskite solar cells until now. More importantly, PCBM modification could effectively suppress the decomposition of MAPbI 3 and improve the thermal stability of cells. Therefore, the ZnO is a promising candidate of electron transport material for perovskite solar cells in future applications.

Microscopic origin of the mobility enhancement at a spinel/perovskite oxide heterointerface revealed by photoemission spectroscopy

DEFF Research Database (Denmark)

Schuetz, P.; Christensen, Dennis Valbjørn; Borisov, V.

2017-01-01

The spinel/perovskite heterointerface γ−Al2O3/SrTiO3 hosts a two-dimensional electron system (2DES) with electron mobilities exceeding those in its all-perovskite counterpart LaAlO3/SrTiO3 by more than an order of magnitude, despite the abundance of oxygen vacancies which act as electron donors a...

Amorphous Tin Oxide as a Low-Temperature-Processed Electron-Transport Layer for Organic and Hybrid Perovskite Solar Cells

KAUST Repository

Barbe, Jeremy; Tietze, Max Lutz; Neophytou, Marios; Banavoth, Murali; Alarousu, Erkki; El Labban, Abdulrahman; Abulikemu, Mutalifu; Yue, Wan; Mohammed, Omar F.; McCulloch, Iain; Amassian, Aram; Del Gobbo, Silvano

2017-01-01

Chemical bath deposition (CBD) of tin oxide (SnO) thin films as an electron-transport layer (ETL) in a planar-heterojunction n-i-p organohalide lead perovskite and organic bulk-heterojunction (BHJ) solar cells is reported. The amorphous SnO (a

Engineering of CH 3 NH 3 PbI 3 Perovskite Crystals by Alloying Large Organic Cations for Enhanced Thermal Stability and Transport Properties

KAUST Repository

Peng, Wei

2016-07-28

The number of studies on organic–inorganic hybrid perovskites has soared in recent years. However, the majority of hybrid perovskites under investigation are based on a limited number of organic cations of suitable sizes, such as methylammonium and formamidinium. These small cations easily fit into the perovskite\\'s three-dimensional (3D) lead halide framework to produce semiconductors with excellent charge transport properties. Until now, larger cations, such as ethylammonium, have been found to form 2D crystals with lead halide. Here we show for the first time that ethylammonium can in fact be incorporated coordinately with methylammonium in the lattice of a 3D perovskite thanks to a balance of opposite lattice distortion strains. This inclusion results in higher crystal symmetry, improved material stability, and markedly enhanced charge carrier lifetime. This crystal engineering strategy of balancing opposite lattice distortion effects vastly increases the number of potential choices of organic cations for 3D perovskites, opening up new degrees of freedom to tailor their optoelectronic and environmental properties.

Ba2+ Doped CH3NH3PbI3 to Tune the Energy State and Improve the Performance of Perovskite Solar Cells

International Nuclear Information System (INIS)

Zhang, Hanbing; Shang, Ming-hui; Zheng, Xiaoying; Zeng, Zhaobing; Chen, Renjie; Zhang, Ying; Zhang, Jing; Zhu, Yuejin

2017-01-01

Highlights: •Ba doping enlarges the energy band gap of MAPb 1-x Ba x I 3 . •Voc and Jsc are enhanced in perovskite solar cells. •DFT calculation proves the experiment results. -- Abstract: Elements substitution and doping in perovskite CH 3 NH 3 PbI 3 exhibit versatile tunability of energy band structure and opto-electric properties. Ba 2+ is chosen to substitute Pb 2+ for its similar valence state and ionic radius with Pb 2+ . Ba 2+ doping in perovskite (mol% <5) slightly enlarges the optic energy gap by conduction band minimum(CBM) upshifting to vacuum energy level, which is due to the smaller electronegativity of Ba than Pb. The enlarged band gap is also verified by density function theory calculations. In n-i-p structure perovskite solar cells (PSCs), because of the higher CBM of doped perovskite, the Fermi energy difference between n and p side is enlarged and the electron injection from the perovskite to TiO 2 is improved. Thus, both the photovoltage and photocurrent are improved by small amount Ba 2+ doping, resulting optimized 17.4% efficiency under AM1.5. This work reveals the relationship between the doping element property and the energy band structure of the perovskite, and highlights the doping method to improve the performance of PSCs.

New Layered Oxide-Fluoride Perovskites: KNaNbOF5 and KNaMO2F4 (M = Mo6+, W6+

Directory of Open Access Journals (Sweden)

Rachelle Ann F. Pinlac

2011-03-01

Full Text Available KNaNbOF5 and KNaMO2F4 (M = Mo6+, W6+, three new layered oxide-fluoride perovskites with the general formula ABB’X6, form from the combination of a second-order Jahn-Teller d0 transition metal and an alkali metal (Na+ on the B-site. Alternating layers of cation vacancies and K+ cations on the A-site complete the structure. The K+ cations are found in the A-site layer where the fluoride ions are located. The A-site is vacant in the adjacent A-site layer where the axial oxides are located. This unusual layered arrangement of unoccupied A-sites and under bonded oxygen has not been observed previously although many perovskite-related structures are known.

Improving the Morphology of the Perovskite Absorber Layer in Hybrid Organic/Inorganic Halide Perovskite MAPbI3 Solar Cells

Directory of Open Access Journals (Sweden)

I. J. Ogundana

2017-01-01

Full Text Available Recently, perovskite solar cells have attracted tremendous attention due to their excellent power conversion efficiency, low cost, simple fabrications, and high photovoltaic performance. Furthermore, the perovskite solar cells are lightweight and possess thin film and semitransparency. However, the nonuniformity in perovskite layer constitutes a major setback to the operation mechanism, performance, reproducibility, and degradation of perovskite solar cells. Therefore, one of the main challenges in planar perovskite devices is the fabrication of high quality films with controlled morphology and least amount of pin-holes for high performance thin film perovskite devices. The poor reproducibility in perovskite solar cells hinders the accurate fabrication of practical devices for use in real world applications, and this is primarily as a result of the inability to control the morphology of perovskites, leading to large variability in the characteristics of perovskite solar cells. Hence, the focus of research in perovskites has been mostly geared towards improving the morphology and crystallization of perovskite absorber by selecting the optimal annealing condition considering the effect of humidity. Here we report a controlled ambient condition that is necessary to grow uniform perovskite crystals. A best PCE of 7.5% was achieved along with a short-circuit current density of 15.2 mA/cm2, an open-circuit voltage of 0.81 V, and a fill factor of 0.612 from the perovskite solar cell prepared under 60% relative humidity.

Monitoring non-pseudomorphic epitaxial growth of spinel/perovskite oxide heterostructures by reflection high-energy electron diffraction

Energy Technology Data Exchange (ETDEWEB)

Schütz, P.; Pfaff, F.; Scheiderer, P.; Sing, M.; Claessen, R. [Physikalisches Institut and Röntgen Center for Complex Material Systems (RCCM), Universität Würzburg, Am Hubland, D-97074 Würzburg (Germany)

2015-02-09

Pulsed laser deposition of spinel γ-Al{sub 2}O{sub 3} thin films on bulk perovskite SrTiO{sub 3} is monitored by high-pressure reflection high-energy electron diffraction (RHEED). The heteroepitaxial combination of two materials with different crystal structures is found to be inherently accompanied by a strong intensity modulation of bulk diffraction patterns from inelastically scattered electrons, which impedes the observation of RHEED intensity oscillations. Avoiding such electron surface-wave resonance enhancement by de-tuning the RHEED geometry allows for the separate observation of the surface-diffracted specular RHEED signal and thus the real-time monitoring of sub-unit cell two-dimensional layer-by-layer growth. Since these challenges are essentially rooted in the difference between film and substrate crystal structure, our findings are of relevance for the growth of any heterostructure combining oxides with different crystal symmetry and may thus facilitate the search for novel oxide heterointerfaces.

Perovskite Solar Cells for High-Efficiency Tandems

Energy Technology Data Exchange (ETDEWEB)

McGehee, Michael [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Buonassisi, Tonio [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

2017-09-30

The first monolithic perovskite/silicon tandem was made with a diffused silicon p-n junction, a tunnel junction made of n⁺⁺ hydrogenated amorphous silicon, a titania electron transport layer, a methylammonium lead iodide absorber, and a Spiro-OMeTAD hole transport layer (HTL). The power conversion efficiency (PCE) was only 13.7% due to excessive parasitic absorption of light in the HTL, limiting the matched current density to 11.5 mA/cm². Werner et al.¹⁵ raised the PCE to a record 21.2% by switching to a silicon heterojunction bottom cell and carefully tuning layer thicknesses to achieve lower optical loss and a higher current density of 15.9 mA/cm². It is clear from these reports that minimizing parasitic absorption in the window layers is crucial to achieving higher current densities and efficiencies in monolithic tandems. To this end, the window layers through which light first passes before entering the perovskite and silicon absorber materials must be highly transparent. The front electrode must also be conductive to carry current laterally across the top of the device. Indium tin oxide (ITO) is widely utilized as a transparent electrode in optoelectronic devices such as flat-panel displays, smart windows, organic light-emitting diodes, and solar cells due to its high conductivity and broadband transparency. ITO is typically deposited through magnetron sputtering; however, the high kinetic energy of sputtered particles can damage underlying layers. In perovskite solar cells, a sputter buffer layer is required to protect the perovskite and organic carrier extraction layers from damage during sputter deposition. The ideal buffer layer should also be energetically well aligned so as to act as a carrier-selective contact, have a wide bandgap to enable high optical transmission, and have no reaction with the halides in the perovskite. Additionally, this buffer layer should act as a diffusion barrier layer to prevent both

A Study on Organic-Metal Halide Perovskite Film Morphology, Interfacial Layers, Tandem Applications, and Encapsulation

Science.gov (United States)

Fisher, Dallas A.

Organic-metal halide perovskites have brought about a new wave of research in the photovoltaic community due to their ideally suited optical and electronic parameters. In less than a decade, perovskite solar cell performance has skyrocketed to unprecedented efficiencies with numerous reported methodologies. Perovskites face many challenges with high-quality film morphology, interfacial layers, and long-term stability. In this work, these active areas are explored through a combination of studies. First, the importance of perovskite film precursor ratios is explored with an in-depth study of carrier lifetime and solvent-grain effects. It was found that excess lead iodide precursor greatly improves the film morphology by reducing pinholes in the solar absorber. Dimethyl sulfoxide (DMSO) solvent was found to mend grains, as well as improve carrier lifetime and device performance, possibly by passivation of grain boundary traps. Second, applications of perovskite with tandem cells is investigated, with an emphasis for silicon devices. Perovskites can easily be integrated with silicon, which already has strong market presence. Additionally, both materials' bandgaps are ideally suited for maximum tandem efficiency. The silicon/perovskite tandem device structure necessitated the optimization of inverted (p-i-n) structure devices. PEDOT:PSS, copper oxide, and nickel oxide p-type layers were explored through a combination of photoluminescent, chemical reactivity, and solar simulation results. Results were hindered due to resistive ITO and rough silicon substrates, but tandem devices displayed Voc indicative of proper monolithic performance. Third, replacement of titanium dioxide n-type layer with iron oxide (Fe 2O3, common rust) was studied. Iron oxide experiences less ultraviolet instability than that of titanium dioxide under solar illumination. It was found that current density slightly decreased due to parasitic absorption from the rust, but that open circuit voltage

One-Year stable perovskite solar cells by 2D/3D interface engineering

Science.gov (United States)

Grancini, G.; Roldán-Carmona, C.; Zimmermann, I.; Mosconi, E.; Lee, X.; Martineau, D.; Narbey, S.; Oswald, F.; de Angelis, F.; Graetzel, M.; Nazeeruddin, Mohammad Khaja

2017-06-01

Despite the impressive photovoltaic performances with power conversion efficiency beyond 22%, perovskite solar cells are poorly stable under operation, failing by far the market requirements. Various technological approaches have been proposed to overcome the instability problem, which, while delivering appreciable incremental improvements, are still far from a market-proof solution. Here we show one-year stable perovskite devices by engineering an ultra-stable 2D/3D (HOOC(CH2)4NH3)2PbI4/CH3NH3PbI3 perovskite junction. The 2D/3D forms an exceptional gradually-organized multi-dimensional interface that yields up to 12.9% efficiency in a carbon-based architecture, and 14.6% in standard mesoporous solar cells. To demonstrate the up-scale potential of our technology, we fabricate 10 × 10 cm2 solar modules by a fully printable industrial-scale process, delivering 11.2% efficiency stable for >10,000 h with zero loss in performances measured under controlled standard conditions. This innovative stable and low-cost architecture will enable the timely commercialization of perovskite solar cells.

Enhanced Crystalline Phase Purity of CH3NH3PbI3-xClx Film for High-Efficiency Hysteresis-Free Perovskite Solar Cells.

Science.gov (United States)

Yang, Yingguo; Feng, Shanglei; Xu, Weidong; Li, Meng; Li, Li; Zhang, Xingmin; Ji, Gengwu; Zhang, Xiaonan; Wang, Zhaokui; Xiong, Yimin; Cao, Liang; Sun, Baoquan; Gao, Xingyu

2017-07-12

Despite rapid successful developments toward promising perovskite solar cells (PSCs) efficiency, they often suffer significant hysteresis effects. Using synchrotron-based grazing incidence X-ray diffraction (GIXRD) with different probing depths by varying the incident angle, we found that the perovskite films consist of dual phases with a parent phase dominant in the interior and a child phase with a smaller (110) interplanar space (d (110) ) after rapid thermal annealing (RTA), which is a widely used post treatment to improve the crystallization of solution-processed perovskite films for high-performance planar PSCs. In particular, the child phase composition gradually increases with decreasing depth till it becomes the majority on the surface, which might be one of the key factors related to hysteresis in fabricated PSCs. We further improve the crystalline phase purity of the solution-processed CH 3 NH 3 PbI 3-x Cl x perovskite film (referred as g-perovskite) by using a facile gradient thermal annealing (GTA), which shows a uniformly distributed phase structure in pinhole-free morphology with less undercoordinated Pb and I ions determined by synchrotron-based GIXRD, grazing incidence small-angle X-ray scattering, scanning electron microscopy, and X-ray photoelectron spectroscopy. Regardless of device structures (conventional and inverted types), the planar heterojunction PSCs employing CH 3 NH 3 PbI 3-x Cl x g-perovskite films exhibit negligible hysteresis with a champion power conversion efficiency of 17.04% for TiO 2 -based conventional planar PSCs and 14.83% for poly(3,4-ethylenedioxythiophene:poly(styrenesulfonate) (PEDOT:PSS)-based inverted planar PSCs. Our results indicate that the crystalline phase purity in CH 3 NH 3 PbI 3-x Cl x perovskite film, especially in the surface region, plays a crucial role in determining the hysteresis effect and device performance.

Trapping charges at grain boundaries and degradation of CH3NH3Pb(I1-x Br x )3 perovskite solar cells

Science.gov (United States)

Phuong Nguyen, Bich; Kim, Gee Yeong; Jo, William; Kim, Byeong Jo; Jung, Hyun Suk

2017-08-01

The electrical properties of CH3NH3Pb(I1-x Br x )3 (x = 0.13) perovskite materials were investigated under ambient conditions. The local work function and the local current were measured using Kelvin probe force microscopy and conductive atomic force microscopy, respectively. The degradation of the perovskite layers depends on their grain size. As the material degrades, an additional peak in the surface potential appears simultaneously with a sudden increase and subsequent relaxation of the local current. The potential bending at the grain boundaries and the intragrains is the most likely reason for the change of the local current surface of the perovskite layers. The improved understanding of the degradation mechanism garnered from this study helps pave the way toward an improved photo-conversion efficiency in perovskite solar cells.

Persistent semi-metal-like nature of epitaxial perovskite CaIrO3 thin films

International Nuclear Information System (INIS)

Biswas, Abhijit; Jeong, Yoon Hee

2015-01-01

Strong spin-orbit coupled 5d transition metal based ABO 3 oxides, especially iridates, allow tuning parameters in the phase diagram and may demonstrate important functionalities, for example, by means of strain effects and symmetry-breaking, because of the interplay between the Coulomb interactions and strong spin-orbit coupling. Here, we have epitaxially stabilized high quality thin films of perovskite (Pv) CaIrO 3 . Film on the best lattice-matched substrate shows semi-metal-like characteristics. Intriguingly, imposing tensile or compressive strain on the film by altering the underlying lattice-mismatched substrates still maintains semi-metallicity with minute modification of the effective correlation as tensile (compressive) strain results in tiny increases (decreases) of the electronic bandwidth. In addition, magnetoresistance remains positive with a quadratic field dependence. This persistent semi-metal-like nature of Pv-CaIrO 3 thin films with minute changes in the effective correlation by strain may provide new wisdom into strong spin-orbit coupled 5d based oxide physics

Morphology-photovoltaic property correlation in perovskite solar cells: One-step versus two-step deposition of CH3NH3PbI3

Directory of Open Access Journals (Sweden)

Jeong-Hyeok Im

2014-08-01

Full Text Available Perovskite CH3NH3PbI3 light absorber is deposited on the mesoporous TiO2 layer via one-step and two-step coating methods and their photovoltaic performances are compared. One-step coating using a solution containing CH3NH3I and PbI2 shows average power conversion efficiency (PCE of 7.5%, while higher average PCE of 13.9% is obtained from two-step coating method, mainly due to higher voltage and fill factor. The coverage, pore-filling, and morphology of the deposited perovskite are found to be critical in photovoltaic performance of the mesoporous TiO2 based perovskite solar cells.

Preparation and characterization of La1-xCexCoO3 perovskite oxides for energy materials

International Nuclear Information System (INIS)

Nyamdavaa, E.; Sevjidsuren, G.; Altantsog, P.; Yuanga, E.

2016-01-01

Cerium-doped lanthanum cobaltite perovskites (La 1-x Ce x CoO 3 with x = 0,0.2, 0.4) were prepared by the sol-gel method (calcined for 5 h at 750°C) and characterized by X-ray diffraction (XRD), X-ray absorption (XAS), energy-dispersive X-ray spectroscopy (EDS), and BET surface area analysis. The results showed that the cerium doping promoted the structural transformation of LaCoO 3 from rhombohedral into the cubic structure. High specific surface area and small crystallite size are achieved at x = 0.2. The XAS results confirmed the formation of compound La 1-x Ce x CoO 3 . [ru

Chlorine Incorporation in the CH3NH3PbI3 Perovskite: Small Concentration, Big Effect.

Science.gov (United States)

Quarti, Claudio; Mosconi, Edoardo; Umari, Paolo; De Angelis, Filippo

2017-01-03

The role of chlorine doping in CH 3 NH 3 PbI 3 represents an important open issue in the use of hybrid perovskites for photovoltaic applications. In particular, even if a positive role of chlorine doping on perovskite film formation and on material morphology has been demonstrated, an inherent positive effect on the electronic and photovoltaic properties cannot be excluded. Here we carried out periodic density functional theory and Car-Parrinello molecular dynamics simulations, going down to ∼1% doping, to investigate the effect of chlorine on CH 3 NH 3 PbI 3 . We found that such a small doping has important effects on the dynamics of the crystalline structure, both with respect to the inorganic framework and with respect to the cation libration motion. Together, we observe a dynamic spatial localization of the valence and conduction states in separated spatial material regions, which takes place in the 10 -1 ps time scale and which could be the key to ease of exciton dissociation and, likely, to small charge recombination in hybrid perovskites. Moreover, such localization is enhanced by chlorine doping, demonstrating an inherent positive role of chlorine doping on the electronic properties of this class of materials.

Engineering of CH 3 NH 3 PbI 3 Perovskite Crystals by Alloying Large Organic Cations for Enhanced Thermal Stability and Transport Properties

KAUST Repository

Peng, Wei; Miao, Xiaohe; Adinolfi, Valerio; Alarousu, Erkki; El Tall, Omar; Emwas, Abdul-Hamid M.; Zhao, Chao; Walters, Grant; Liu, Jiakai; Ouellette, Olivier; Pan, Jun; Banavoth, Murali; Sargent, Edward H.; Mohammed, Omar F.; Bakr, Osman

2016-01-01

The number of studies on organic–inorganic hybrid perovskites has soared in recent years. However, the majority of hybrid perovskites under investigation are based on a limited number of organic cations of suitable sizes, such as methylammonium and formamidinium. These small cations easily fit into the perovskite's three-dimensional (3D) lead halide framework to produce semiconductors with excellent charge transport properties. Until now, larger cations, such as ethylammonium, have been found to form 2D crystals with lead halide. Here we show for the first time that ethylammonium can in fact be incorporated coordinately with methylammonium in the lattice of a 3D perovskite thanks to a balance of opposite lattice distortion strains. This inclusion results in higher crystal symmetry, improved material stability, and markedly enhanced charge carrier lifetime. This crystal engineering strategy of balancing opposite lattice distortion effects vastly increases the number of potential choices of organic cations for 3D perovskites, opening up new degrees of freedom to tailor their optoelectronic and environmental properties.

Efficient and ultraviolet durable planar perovskite solar cells via a ferrocenecarboxylic acid modified nickel oxide hole transport layer.

Science.gov (United States)

Zhang, Jiankai; Luo, Hui; Xie, Weijia; Lin, Xuanhuai; Hou, Xian; Zhou, Jianping; Huang, Sumei; Ou-Yang, Wei; Sun, Zhuo; Chen, Xiaohong

2018-03-28

Planar perovskite solar cells (PSCs) that use nickel oxide (NiO x ) as a hole transport layer have recently attracted tremendous attention because of their excellent photovoltaic efficiencies and simple fabrication. However, the electrical conductivity of NiO x and the interface contact properties of the NiO x /perovskite layer are always limited for the NiO x layer fabricated at a relatively low annealing temperature. Ferrocenedicarboxylic acid (FDA) was firstly introduced to modify a p-type NiO x hole transport layer in PSCs, which obviously improves the crystallization of the perovskite layer and hole transport and collection abilities and reduces carrier recombination. PSCs with a FDA modified NiO x layer reached a PCE of 18.20%, which is much higher than the PCE (15.13%) of reference PSCs. Furthermore, PSCs with a FDA interfacial modification layer show better UV durability and a hysteresis-free effect and still maintain the original PCE value of 49.8%after being exposed to UV for 24 h. The enhanced performance of the PSCs is attributed to better crystallization of the perovskite layer, the passivation effect of FDA, superior interface contact at the NiO x /perovskite layers and enhancement of the electrical conductivity of the FDA modified NiO x layer. In addition, PSCs with FDA inserted at the interface of the perovskite/PCBM layers can also improve the PCE to 16.62%, indicating that FDA have dual functions to modify p-type and n-type carrier transporting layers.

Crystallographic and Electronic Structure of the Sr3Sb2CoO9 Triple Perovskite

International Nuclear Information System (INIS)

González, W; Téllez, D A Landínez; Roa-Rojas, J; Cardona, R

2014-01-01

Compounds The perovskites are materials with physical and chemical characteristics that make them optimal for application in the technological and scientist. When the ideal formula of perovskite ABO 3 is modified by introducing a special structural arrangement can get to get triple perovskites, which correspond to the formula A 3 B 2 B'O 9 . In this work we report the synthesis process and the study of electronic structure and crystal Sr 3 Sb 2 CoO 9 new triple perovskite. From the experiments of X-ray Diffraction and the application of the Rietveld refinement method was revealed that the system crystallizes in a perovskite structure with a characteristic triple given by the space group Immm (#71) and lattice parameters a=9.791(9) Å, b=5.656(7) Å and c=16.957(8) Å. Ab initio calculations of density of states (DOS) and electronic structure were carried out for this perovskite-like system by using the Quantum EXPRESSO code. The exchange-correlation potential was treated using the Generalized Gradient Approximation (GGA). All calculations were carried-out using spin polarization.

Ab initio energetics of LaBO3(001) (B=Mn, Fe, Co, and Ni) for solid oxide fuel cell cathodes

DEFF Research Database (Denmark)

Lee, Yueh-Lin; Kleis, Jesper; Rossmeisl, Jan

2009-01-01

LaBO3 (B=Mn, Fe, Co, and Ni) perovskites form a family of materials of significant interest for cathodes of solid oxide fuel cells (SOFCs). In this paper ab initio methods are used to study both bulk and surface properties of relevance for SOFCs, including vacancy formation and oxygen binding...... reduction reaction on perovskite SOFC cathodes....

Enhanced photovoltaic performance of CH3NH3PbBrXI3-X-based perovskite solar cells via anti-solvent extraction

Science.gov (United States)

Jiang, Zhaoyi; Zhang, Weijia; Lu, Chaoqun; Ma, Denghao; Liu, Haixu; Yu, Wei; Zhang, Yu; Ma, Qiang; Zhang, Yulong

2018-06-01

In this paper, the two-step sequential deposition method was used to prepare the CH3NH3PbBrXI3-X films by introducing CH3NH3Br in the precursors. The surface morphology of the PbI2 films was controlled by anti-solvent extraction (ASE) to improve the microstructure and photo-physical properties of the perovskite films. It was noteworthy that, compared to the compact PbI2 films, the porous PbI2 films facilitated the growth of crystals and bromine incorporation in films, and the prepared perovskite films exhibited enlarged grain size, increased light absorption, enhanced Br incorporation and prolonged carrier lifetime, which resulted in excellent photo-electrical properties of the CH3NH3PbBrXI3-X films. With porous PbI2 templates, the inverted planar perovskite solar cells based on films with appropriate Br incorporation (CH3NH3Br/CH3NH3I mole ratio = 3/7) showed a photovoltaic conversion efficiency (PCE) of 14.9%, and the stability of the devices in air was elevated. Consequently, the high-quality CH3NH3PbBrXI3-X films can be obtained with porous PbI2 templates for improving the performance of the perovskite solar cells.

Photovoltaic Rudorffites: Lead-Free Silver Bismuth Halides Alternative to Hybrid Lead Halide Perovskites.

Science.gov (United States)

Turkevych, Ivan; Kazaoui, Said; Ito, Eisuke; Urano, Toshiyuki; Yamada, Koji; Tomiyasu, Hiroshi; Yamagishi, Hideo; Kondo, Michio; Aramaki, Shinji

2017-10-09

Hybrid CPbX 3 (C: Cs, CH 3 NH 3 ; X: Br, I) perovskites possess excellent photovoltaic properties but are highly toxic, which hinders their practical application. Unfortunately, all Pb-free alternatives based on Sn and Ge are extremely unstable. Although stable and non-toxic C 2 ABX 6 double perovskites based on alternating corner-shared AX 6 and BX 6 octahedra (A=Ag, Cu; B=Bi, Sb) are possible, they have indirect and wide band gaps of over 2 eV. However, is it necessary to keep the corner-shared perovskite structure to retain good photovoltaic properties? Here, we demonstrate another family of photovoltaic halides based on edge-shared AX 6 and BX 6 octahedra with the general formula A a B b X x (x=a+3 b) such as Ag 3 BiI 6 , Ag 2 BiI 5 , AgBiI 4 , AgBi 2 I 7 . As perovskites were named after their prototype oxide CaTiO 3 discovered by Lev Perovski, we propose to name these new ABX halides as rudorffites after Walter Rüdorff, who discovered their prototype oxide NaVO 2 . We studied structural and optoelectronic properties of several highly stable and promising Ag-Bi-I photovoltaic rudorffites that feature direct band gaps in the range of 1.79-1.83 eV and demonstrated a proof-of-concept FTO/c-m-TiO 2 /Ag 3 BiI 6 /PTAA/Au (FTO: fluorine-doped tin oxide, PTAA: poly[bis(4-phenyl)(2,4,6-trimethylphenyl)amine], c: compact, m: mesoporous) solar cell with photoconversion efficiency of 4.3 %. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Development of High Efficiency Four-Terminal Perovskite-Silicon Tandems

Science.gov (United States)

Duong, The Duc

This thesis is concerned with the development of high efficiency four-terminal perovskite-silicon tandem solar cells with the potential to reduce the cost of solar energy. The work focuses on perovskite top cells and can be divided into three main parts: developing low parasitic absorption and efficient semi-transparent perovskite cells, doping perovskite materials with rubidium, and optimizing perovskite material's bandgap with quadruple-cation and mixed-halide. A further section investigates the light stability of optimized bandgap perovskite cells. In a four-terminal mechanically stacked tandem, the perovskite top cell requires two transparent contacts at both the front and rear sides. Through detailed optical and electrical power loss analysis of the tandem efficiency due to non-ideal properties of the two transparent contacts, optimal contact parameters in term of sheet resistance and transparency are identified. Indium doped tin oxide by sputtering is used for both two transparent contacts and their deposition parameters are optimized separately. The semi-transparent perovskite cell using MAPbI3 has an efficiency of more than 12% with less than 12% parasitic absorption and up to 80% transparency in the long wavelength region. Using a textured foil as anti-reflection coating, an outstanding average transparency of 84% in the long wavelength is obtained. The low parasitic absorption allows an opaque version of the semi-transparent perovskite cell to operate efficiently in a filterless spectrum splitting perovskite-silicon tandem configuration. To further enhance the performance of perovskite cells, it is essential to improve the quality of perovskite films. This can be achieved with mixed-perovskite FAPbI3/MAPbBr3. However, mixed-perovskite films normally contain small a small amount of a non-perovskite phase, which is detrimental for the cell performance. Rb-doping is found to eliminate the formation of the non-perovskite phase and enhance the crystallinity of

Oxygen rocking aqueous batteries utilizing reversible topotactic oxygen insertion/extraction in iron-based perovskite oxides Ca1-xLaxFeO3-δ

Science.gov (United States)

Hibino, Mitsuhiro; Kimura, Takeshi; Suga, Yosuke; Kudo, Tetsuichi; Mizuno, Noritaka

2012-08-01

Developments of large-scale energy storages with not only low cost and high safety but also abundant metals are significantly demanded. While lithium ion batteries are the most successful method, they cannot satisfy all conditions. Here we show the principle of novel lithium-free secondary oxygen rocking aqueous batteries, in which oxygen shuttles between the cathode and anode composed of iron-based perovskite-related oxides Ca0.5La0.5FeOz (2.5 topotactic oxygen extraction and reinsertion during discharge and charge processes.

Optical constants of CH3NH3PbBr3 perovskite thin films measured by spectroscopic ellipsometry

KAUST Repository

Alias, Mohd Sharizal

2016-07-14

The lack of optical constants information for hybrid perovskite of CH3NH3PbBr3 in thin films form can delay the progress of efficient LED or laser demonstration. Here, we report on the optical constants (complex refractive index and dielectric function) of CH3NH3PbBr3 perovskite thin films using spectroscopic ellipsometry. Due to the existence of voids, the refractive index of the thin films is around 8% less than the single crystals counterpart. The energy bandgap is around 2.309 eV as obtained from photoluminescence and spectrophotometry spectra, and calculated from the SE analysis. The precise measurement of optical constants will be useful in designing optical devices using CH3NH3PbBr3 thin films.

CH3NH3PbI3 grain growth and interfacial properties in meso-structured perovskite solar cells fabricated by two-step deposition

Science.gov (United States)

Yao, Zhibo; Wang, Wenli; Shen, Heping; Zhang, Ye; Luo, Qiang; Yin, Xuewen; Dai, Xuezeng; Li, Jianbao; Lin, Hong

2017-12-01

Although the two-step deposition (TSD) method is widely adopted for the high performance perovskite solar cells (PSCs), the CH3NH3PbI3 perovskite crystal growth mechanism during the TSD process and the photo-generated charge recombination dynamics in the mesoporous-TiO2 (mp-TiO2)/CH3NH3PbI3/hole transporting material (HTM) system remains unexploited. Herein, we modified the concentration of PbI2 (C(PbI2)) solution to control the perovskite crystal properties, and observed an abnormal CH3NH3PbI3 grain growth phenomenon atop mesoporous TiO2 film. To illustrate this abnormal grain growth mechanism, we propose that a grain ripening process is taking place during the transformation from PbI2 to CH3NH3PbI3, and discuss the PbI2 nuclei morphology, perovskite grain growing stage, as well as Pb:I atomic ratio difference among CH3NH3PbI3 grains with different morphology. These C(PbI2)-dependent perovskite morphologies resulted in varied charge carrier transfer properties throughout the mp-TiO2/CH3NH3PbI3/HTM hybrid, as illustrated by photoluminescence measurement. Furthermore, the effect of CH3NH3PbI3 morphology on light absorption and interfacial properties is investigated and correlated with the photovoltaic performance of PSCs.

Copper-Substituted Lead Perovskite Materials Constructed with Different Halides for Working (CH3NH3)2CuX4-Based Perovskite Solar Cells from Experimental and Theoretical View.

Science.gov (United States)

Elseman, Ahmed Mourtada; Shalan, Ahmed Esmail; Sajid, Sajid; Rashad, Mohamed Mohamed; Hassan, Ali Mostafa; Li, Meicheng

2018-04-11

Toxicity and chemical instability issues of halide perovskites based on organic-inorganic lead-containing materials still remain as the main drawbacks for perovskite solar cells (PSCs). Herein, we discuss the preparation of copper (Cu)-based hybrid materials, where we replace lead (Pb) with nontoxic Cu metal for lead-free PSCs, and investigate their potential toward solar cell applications based on experimental and theoretical studies. The formation of (CH 3 NH 3 ) 2 CuX 4 [(CH 3 NH 3 ) 2 CuCl 4 , (CH 3 NH 3 ) 2 CuCl 2 I 2 , and (CH 3 NH 3 ) 2 CuCl 2 Br 2 ] was discussed in details. Furthermore, it was found that chlorine (Cl - ) in the structure is critical for the stabilization of the formed compounds. Cu-based perovskite-like materials showed attractive absorbance features extended to the near-infrared range, with appropriate band gaps. Green photoluminescence of these materials was obtained because of Cu + ions. The power conversion efficiency was measured experimentally and estimated theoretically for different architectures of solar cell devices.

Structural analysis and characterization of layer perovskite oxynitrides made from Dion-Jacobson oxide precursors

International Nuclear Information System (INIS)

Schottenfeld, Joshua A.; Benesi, Alan J.; Stephens, Peter W.; Chen, Gugang; Eklund, Peter C.; Mallouk, Thomas E.

2005-01-01

A three-layer oxynitride Ruddlesden-Popper phase Rb 1+x Ca 2 Nb 3 O 10-x N x .yH 2 O (x=0.7-0.8, y=0.4-0.6) was synthesized by ammonialysis at 800 o C from the Dion-Jacobson phase RbCa 2 Nb 3 O 10 in the presence of Rb 2 CO 3 . Incorporation of nitrogen into the layer perovskite structure was confirmed by XPS, combustion analysis, and MAS NMR. The water content was determined by thermal gravimetric analysis and the rubidium content by ICP-MS. A similar layered perovskite interconversion occurred in the two-layer Dion-Jacobson oxide RbLaNb 2 O 7 to yield Rb 1+x LaNb 2 O 7-x N x .yH 2 O (x=0.7-0.8, y=0.5-1.0). Both compounds were air- and moisture-sensitive, with rapid loss of nitrogen by oxidation and hydrolysis reactions. The structure of the three-layer oxynitride Rb 1.7 Ca 2 Nb 3 O 9.3 N 0.7 .0.5H 2 O was solved in space group P4/mmm with a=3.887(3) and c=18.65(1)A, by Rietveld refinement of X-ray powder diffraction data. The two-layer oxynitride structure Rb 1.8 LaNb 2 O 6.3 N 0.7 .1.0H 2 O was also determined in space group P4/mmm with a=3.934(2) and c=14.697(2)A. GSAS refinement of synchrotron X-ray powder diffraction data showed that the water molecules were intercalated between a double layer of Rb+ ions in both the two- and three-layer Ruddlesden-Popper structures. Optical band gaps were measured by diffuse reflectance UV-vis for both materials. An indirect band gap of 2.51eV and a direct band gap of 2.99eV were found for the three-layer compound, while an indirect band gap of 2.29eV and a direct band gap of 2.84eV were measured for the two-layer compound. Photocatalytic activity tests of the three-layer compound under 380nm pass filtered light with AgNO 3 as a sacrificial electron acceptor gave a quantum yield of 0.025% for oxygen evolution

CsPbBr3:xEu3+ perovskite QD borosilicate glass: a new member of the luminescent material family.

Science.gov (United States)

Yuan, Rongrong; Shen, Lingli; Shen, Chenyang; Liu, Jianming; Zhou, Lei; Xiang, Weidong; Liang, Xiaojuan

2018-03-29

Eu3+ ions were introduced into the lattices of CsPbBr3 perovskite QDs and a tunable multicolour emission from CsPbBr3:xEu3+ perovskite QD glass was successfully obtained. Multicolour LEDs that were fabricated by combining the as-prepared CsPbBr3:xEu3+ QD glasses with a UV chip were also researched in this study.

Structural characterization of a new vacancy ordered perovskite modification found for Ba3Fe3O7F (BaFeO2.333F0.333): Towards understanding of vacancy ordering for different perovskite-type ferrites

International Nuclear Information System (INIS)

Clemens, Oliver

2015-01-01

The new vacancy ordered perovskite-type compound Ba 3 Fe 3 O 7 F (BaFeO 2.33 F 0.33 ) was prepared by topochemical low-temperature fluorination of Ba 2 Fe 2 O 5 (BaFeO 2.5 ) using stoichiometric amounts of polyvinylidene difluoride (PVDF). The vacancy order was found to be unique so far for perovskite compounds, and the connectivity pattern can be explained by the formula Ba 3 (FeX 6/2 ) (FeX 5/2 ) (FeX 3/2 X 1/1 ), with X=O/F. Mössbauer measurements were used to confirm the structural analysis and agree with the presence of Fe 3+ in the above mentioned coordination environments. Group–subgroup relationships were used to build a starting model for the structure solution and to understand the relationship to the cubic perovskite structure. Furthermore, a comparison of a variety of vacancy-ordered iron-containing perovskite-type structures is given, highlighting the factors which favour one structure type over the other depending on the composition. - Graphical abstract: The crystal structure of Ba 3 Fe 3 O 7 F in comparison to other perovskite type ferrites. - Highlights: • The crystal structure of Ba 3 Fe 3 O 7 F in comparison to other perovskite type ferrites. • Ba 3 Fe 3 O 7 F was synthesized by low temperature fluorination of Ba 2 Fe 2 O 5 . • Ba 3 Fe 3 O 7 F shows a unique vacancy order not found for other perovskite type compounds. • The structure of Ba 3 Fe 3 O 7 F was solved using group–subgroup relationships. • A systematic comparison to other ferrite type compounds reveals structural similarities and differences. • The A-site coordination of the cation is shown to play an important role for the type of vacancy order found

Electrochemical reduction of oxygen and nitric oxide at low temperature on La1−xSrxMnO3+δ cathodes

DEFF Research Database (Denmark)

Kammer Hansen, Kent

2013-01-01

in the nitric oxide containing atmosphere compared to the activity in the oxygen containing atmosphere at 200°C. At 300 and 400°C the activity in the nitric oxide and oxygen containing atmospheres were similar. The highest ratio between the cathodic current densities in the nitric oxide and oxygen containing......Six La1−xSrxMnO3+δ (x=0, 0.05, 0.15, 0.25, 0.35, 0.50) perovskites were synthesised and characterised by powder XRD and cyclic voltammetry on cone-shaped electrodes in 10% oxygen in argon or 1% nitric oxide in argon at 200, 300 and 400°C. The activity of the manganite based perovskites were highest...

CaTiO.sub.3 Interfacial template structure on semiconductor-based material and the growth of electroceramic thin-films in the perovskite class

Science.gov (United States)

McKee, Rodney Allen; Walker, Frederick Joseph

1998-01-01

A structure including a film of a desired perovskite oxide which overlies and is fully commensurate with the material surface of a semiconductor-based substrate and an associated process for constructing the structure involves the build up of an interfacial template film of perovskite between the material surface and the desired perovskite film. The lattice parameters of the material surface and the perovskite of the template film are taken into account so that during the growth of the perovskite template film upon the material surface, the orientation of the perovskite of the template is rotated 45.degree. with respect to the orientation of the underlying material surface and thereby effects a transition in the lattice structure from fcc (of the semiconductor-based material) to the simple cubic lattice structure of perovskite while the fully commensurate periodicity between the perovskite template film and the underlying material surface is maintained. The film-growth techniques of the invention can be used to fabricate solid state electrical components wherein a perovskite film is built up upon a semiconductor-based material and the perovskite film is adapted to exhibit ferroelectric, piezoelectric, pyroelectric, electro-optic or large dielectric properties during use of the component.

Double functions of porous TiO2 electrodes on CH3NH3PbI3 perovskite solar cells: Enhancement of perovskite crystal transformation and prohibition of short circuiting

Directory of Open Access Journals (Sweden)

Govindhasamy Murugadoss

2014-08-01

Full Text Available In order to analyze the crystal transformation from hexagonal PbI2 to CH3NH3PbI3 by the sequential (two-step deposition process, perovskite CH3NH3PbI3 layers were deposited on flat and/or porous TiO2 layers. Although the narrower pores using small nanoparticles prohibited the effective transformation, the porous-TiO2 matrix was able to help the crystal transformation of PbI2 to CH3NH3PbI3 by sequential two-step deposition. The resulting PbI2 crystals in porous TiO2 electrodes did not deteriorate the photovoltaic effects. Moreover, it is confirmed that the porous TiO2 electrode had served the function of prohibiting short circuits between working and counter electrodes in perovskite solar cells.

Synthesis and electrocatalytic properties of La0.8Sr0.2FeO3−δ perovskite oxide for oxygen reactions

Directory of Open Access Journals (Sweden)

R.A. Silva

2017-09-01

Full Text Available Perovskites are important alternatives for precious metals as catalysts for bifunctional oxygen electrodes, involving oxygen evolution (OER and reduction (ORR reactions as is the case of regenerative fuel cells. In this work, strontium doped lanthanum ferrite La1−xSrxFeO3−δ (x = 0; 0.1; 0.2; 0.3; 0.4; 0.6 and 1.0 powders were prepared by a self-combustion route. The oxides, in the form of carbon paste electrodes, were characterised by cyclic voltammetry in alkaline solutions. Data analyses lead to the selection of La0.8Sr0.2FeO3−δ to prepare gas diffusion electrodes (GDEs. Cyclic voltammetry and steady state polarization curves were used, respectively, to assess the electrochemical behaviour of GDEs and to obtain kinetic data for both OER and ORR. It is concluded that the oxide preparation conditions/electrode configuration determine the electrode performance. The bifunctionality of the electrodes was assessed, under galvanostatic control, using a cycling protocol within the potential domains for OER and ORR. The potential window, i.e., the total combined overpotential between OER and ORR was found to be of ≈770 mV, value which compares well with that obtained under potentiostatic control. Even though the potential window keeps constant during 140 cycles, the increase in cycling time and/or current density (≥2.5 mA·cm−2 led to a gradual metallization of the GDE surface, as confirmed by Scanning Electron Microscopy and X-ray diffraction analysis.

Effects of CuBr addition to CH3NH3PbI3(Cl) perovskite photovoltaic devices

Science.gov (United States)

Oku, Takeo; Ohishi, Yuya; Tanaka, Hiroki

2018-01-01

Effects of CuBr addition to perovskite CH3NH3PbI3(Cl) precursor solutions on photovoltaic properties were investigated. The CH3NH3Pb(Cu)I3(Cl,Br)-based photovoltaic devices were fabricated by a spin-coating technique, and the microstructures of the devices were investigated by X-ray diffraction, optical microscopy and scanning electron microscopy. Current density-voltage characteristics were improved by a small amount of CuBr addition, which resulted in improvement of the conversion efficiencies of the devices. The structure analysis showed decrease of unit cell volume and increase of Cu/Br composition by the CuBr addition, which would indicate the Cu/Br substitution at the Pb/I sites in the perovskite crystal, respectively.

Dependence of Acetate-Based Antisolvents for High Humidity Fabrication of CH3NH3PbI3 Perovskite Devices in Ambient Atmosphere.

Science.gov (United States)

Yang, Fu; Kapil, Gaurav; Zhang, Putao; Hu, Zhaosheng; Kamarudin, Muhammad Akmal; Ma, Tingli; Hayase, Shuzi

2018-05-16

High-efficiency perovskite solar cells (PSCs) need to be fabricated in the nitrogen-filled glovebox by the atmosphere-controlled crystallization process. However, the use of the glovebox process is of great concern for mass level production of PSCs. In this work, notable efficient CH 3 NH 3 PbI 3 solar cells can be obtained in high humidity ambient atmosphere (60-70% relative humidity) by using acetate as the antisolvent, in which dependence of methyl, ethyl, propyl, and butyl acetate on the crystal growth mechanism is discussed. It is explored that acetate screens the sensitive perovskite intermediate phases from water molecules during perovskite film formation and annealing. It is revealed that relatively high vapor pressure and high water solubility of methyl acetate (MA) leads to the formation of highly dense and pinhole free perovskite films guiding to the best power conversion efficiency (PCE) of 16.3% with a reduced hysteresis. The devices prepared using MA showed remarkable shelf life stability of more than 80% for 360 h in ambient air condition, when compared to the devices fabricated using other antisolvents with low vapor pressure and low water solubility. Moreover, the PCE was still kept at 15.6% even though 2 vol % deionized water was added in the MA for preparing the perovskite layer.

Formation Dynamics of CH3NH3PbI3 Perovskite Following Two-Step Layer Deposition.

Science.gov (United States)

Patel, Jay B; Milot, Rebecca L; Wright, Adam D; Herz, Laura M; Johnston, Michael B

2016-01-07

Hybrid metal-halide perovskites have emerged as a leading class of semiconductors for optoelectronic devices because of their desirable material properties and versatile fabrication methods. However, little is known about the chemical transformations that occur in the initial stages of perovskite crystal formation. Here we follow the real-time formation dynamics of MAPbI3 from a bilayer of lead iodide (PbI2) and methylammonium iodide (MAI) deposited through a two-step thermal evaporation process. By lowering the substrate temperature during deposition, we are able to initially inhibit intermixing of the two layers. We subsequently use infrared and visible light transmission, X-ray diffraction, and photoluminescence lifetime measurements to reveal the room-temperature transformations that occur in vacuum and ambient air, as MAI diffuses into the PbI2 lattice to form MAPbI3. In vacuum, the transformation to MAPbI3 is incomplete as unreacted MAI is retained in the film. However, exposure to moist air allows for conversion of the unreacted MAI to MAPbI3, demonstrating that moisture is essential in making MAI more mobile and thus aiding perovskite crystallization. These dynamic processes are reflected in the observed charge-carrier lifetimes, which strongly fluctuate during periods of large ion migration but steadily increase with improving crystallinity.

Investigating Recombination and Charge Carrier Dynamics in a One-Dimensional Nanopillared Perovskite Absorber.

Science.gov (United States)

Kwon, Hyeok-Chan; Yang, Wooseok; Lee, Daehee; Ahn, Jihoon; Lee, Eunsong; Ma, Sunihl; Kim, Kyungmi; Yun, Seong-Cheol; Moon, Jooho

2018-05-22

Organometal halide perovskite materials have become an exciting research topic as manifested by intense development of thin film solar cells. Although high-performance solar-cell-based planar and mesoscopic configurations have been reported, one-dimensional (1-D) nanostructured perovskite solar cells are rarely investigated despite their expected promising optoelectrical properties, such as enhanced charge transport/extraction. Herein, we have analyzed the 1-D nanostructure effects of organometal halide perovskite (CH 3 NH 3 PbI 3- x Cl x ) on recombination and charge carrier dynamics by utilizing a nanoporous anodized alumina oxide scaffold to fabricate a vertically aligned 1-D nanopillared array with controllable diameters. It was observed that the 1-D perovskite exhibits faster charge transport/extraction characteristics, lower defect density, and lower bulk resistance than the planar counterpart. As the aspect ratio increases in the 1-D structures, in addition, the charge transport/extraction rate is enhanced and the resistance further decreases. However, when the aspect ratio reaches 6.67 (diameter ∼30 nm), the recombination rate is aggravated due to high interface-to-volume ratio-induced defect generation. To obtain the full benefits of 1-D perovskite nanostructuring, our study provides a design rule to choose the appropriate aspect ratio of 1-D perovskite structures for improved photovoltaic and other optoelectrical applications.

Efficient and Air-Stable Planar Perovskite Solar Cells Formed on Graphene-Oxide-Modified PEDOT:PSS Hole Transport Layer

Science.gov (United States)

Luo, Hui; Lin, Xuanhuai; Hou, Xian; Pan, Likun; Huang, Sumei; Chen, Xiaohong

2017-10-01

As a hole transport layer, PEDOT:PSS usually limits the stability and efficiency of perovskite solar cells (PSCs) due to its hygroscopic nature and inability to block electrons. Here, a graphene-oxide (GO)-modified PEDOT:PSS hole transport layer was fabricated by spin-coating a GO solution onto the PEDOT:PSS surface. PSCs fabricated on a GO-modified PEDOT:PSS layer exhibited a power conversion efficiency (PCE) of 15.34%, which is higher than 11.90% of PSCs with the PEDOT:PSS layer. Furthermore, the stability of the PSCs was significantly improved, with the PCE remaining at 83.5% of the initial PCE values after aging for 39 days in air. The hygroscopic PSS material at the PEDOT:PSS surface was partly removed during spin-coating with the GO solution, which improves the moisture resistance and decreases the contact barrier between the hole transport layer and perovskite layer. The scattered distribution of the GO at the PEDOT:PSS surface exhibits superior wettability, which helps to form a high-quality perovskite layer with better crystallinity and fewer pin holes. Furthermore, the hole extraction selectivity of the GO further inhibits the carrier recombination at the interface between the perovskite and PEDOT:PSS layers. Therefore, the cooperative interactions of these factors greatly improve the light absorption of the perovskite layer, the carrier transport and collection abilities of the PSCs, and especially the stability of the cells.

Light-Independent Ionic Transport in Inorganic Perovskite and Ultrastable Cs-Based Perovskite Solar Cells.

Science.gov (United States)

Zhou, Wenke; Zhao, Yicheng; Zhou, Xu; Fu, Rui; Li, Qi; Zhao, Yao; Liu, Kaihui; Yu, Dapeng; Zhao, Qing

2017-09-07

Due to light-induced effects in CH 3 NH 3 -based perovskites, such as ion migration, defects formation, and halide segregation, the degradation of CH 3 NH 3 -based perovskite solar cells under maximum power point is generally implicated. Here we demonstrated that the effect of light-enhanced ion migration in CH 3 NH 3 PbI 3 can be eliminated by inorganic Cs substitution, leading to an ultrastable perovskite solar cell. Quantitatively, the ion migration barrier for CH 3 NH 3 PbI 3 is 0.62 eV under dark conditions, larger than that of CsPbI 2 Br (0.45 eV); however, it reduces to 0.07 eV for CH 3 NH 3 PbI 3 under illumination, smaller than that for CsPbI 2 Br (0.43 eV). Meanwhile, photoinduced halide segregation is also suppressed in Cs-based perovskites. Cs-based perovskite solar cells retained >99% of the initial efficiency (10.3%) after 1500 h of maximum power point tracking under AM1.5G illumination, while CH 3 NH 3 PbI 3 solar cells degraded severely after 50 h of operation. Our work reveals an uncovered mechanism for stability improvement by inorganic cation substitution in perovskite-based optoelectronic devices.

Persistent semi-metal-like nature of epitaxial perovskite CaIrO{sub 3} thin films

Energy Technology Data Exchange (ETDEWEB)

Biswas, Abhijit; Jeong, Yoon Hee, E-mail: yhj@postech.ac.kr [Department of Physics, POSTECH, Pohang 790-784 (Korea, Republic of)

2015-05-21

Strong spin-orbit coupled 5d transition metal based ABO{sub 3} oxides, especially iridates, allow tuning parameters in the phase diagram and may demonstrate important functionalities, for example, by means of strain effects and symmetry-breaking, because of the interplay between the Coulomb interactions and strong spin-orbit coupling. Here, we have epitaxially stabilized high quality thin films of perovskite (Pv) CaIrO{sub 3}. Film on the best lattice-matched substrate shows semi-metal-like characteristics. Intriguingly, imposing tensile or compressive strain on the film by altering the underlying lattice-mismatched substrates still maintains semi-metallicity with minute modification of the effective correlation as tensile (compressive) strain results in tiny increases (decreases) of the electronic bandwidth. In addition, magnetoresistance remains positive with a quadratic field dependence. This persistent semi-metal-like nature of Pv-CaIrO{sub 3} thin films with minute changes in the effective correlation by strain may provide new wisdom into strong spin-orbit coupled 5d based oxide physics.

Effects of solvent and chelating agent on synthesis of solid oxide fuel cell perovskite, La0.8Sr0.2CrO3-δ

International Nuclear Information System (INIS)

Lee, Byoung I.; Gupta, Ravindra K.; Whang, Chin M.

2008-01-01

Effects of solvent and chelating agent on synthesis of La 0.8 Sr 0.2 CrO 3-δ perovskite are reported. Samples are synthesized using a solvent (ethylene glycol or 2-methoxyethanol) and a chelating agent (acetylacetone, citric acid or ethylene diamine tetraacetic acid) by polymeric-gel method, and characterized by X-ray diffractometry and Fourier-transform infrared spectroscopy. Citric acid to metal cations molar ratio (Rc) is varied for ethylene glycol-citric acid system. Samples are mainly orthorhombic perovskite. SrCrO 4 is appeared as a secondary phase and found to be the lowest for ethylene glycol-citric acid combination with Rc equal to 7. Crystallographic parameters of perovskite phase are determined and compared with those of LaCrO 3 . A mechanism employing a partial-charge model, chelating effect and solvent-cage effect is proposed to explain the results. Effect of sintering temperature on phase, relative density and morphology of samples prepared using ethylene glycol and citric acid (Rc = 7) is also reported

The oxidation of carbon monoxide over transition metal doped lanthanum manganates nanoparticles

International Nuclear Information System (INIS)

Fal Desai, M.S.; Salker, A.V.

2012-01-01

Lanthanum manganates perovskites (ABO 3 ) has been widely studied and applied. Many perovskites with A and B sites doped with different metals show good catalytic activity in many oxidation reactions than the individual perovskite. In present study, an attempt has been made to show comparative account of CO oxidation by doping the B site with different cations using sol-gel method

High Photoluminescence Quantum Yields in Organic Semiconductor-Perovskite Composite Thin Films.

Science.gov (United States)

Longo, Giulia; La-Placa, Maria-Grazia; Sessolo, Michele; Bolink, Henk J

2017-10-09

One of the obstacles towards efficient radiative recombination in hybrid perovskites is a low exciton binding energy, typically in the orders of tens of meV. It has been shown that the use of electron-donor additives can lead to a substantial reduction of the non-radiative recombination in perovskite films. Herein, the approach using small molecules with semiconducting properties, which are candidates to be implemented in future optoelectronic devices, is presented. In particular, highly luminescent perovskite-organic semiconductor composite thin films have been developed, which can be processed from solution in a simple coating step. By tuning the relative concentration of methylammonium lead bromide (MAPbBr 3 ) and 9,9spirobifluoren-2-yl-diphenyl-phosphine oxide (SPPO1), it is possible to achieve photoluminescent quantum yields (PLQYs) as high as 85 %. This is attributed to the dual functions of SPPO1 that limit the grain growth while passivating the perovskite surface. The electroluminescence of these materials was investigated by fabricating multilayer LEDs, where charge injection and transport was found to be severely hindered for the perovskite/SPPO1 material. This was alleviated by partially substituting SPPO1 with a hole-transporting material, 1,3-bis(N-carbazolyl)benzene (mCP), leading to bright electroluminescence. The potential of combining perovskite and organic semiconductors to prepare materials with improved properties opens new avenues for the preparation of simple lightemitting devices using perovskites as the emitter. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synthesis, structure and phase separation of a new 12R-type perovskite-related oxide Ba3NdMn2O9

International Nuclear Information System (INIS)

Yang, H.; Tang, Y.K.; Yao, L.D.; Zhang, W.; Li, Q.A.; Li, F.Y.; Jin, C.Q.; Yu, R.C.

2007-01-01

A new 12R-type perovskite-related oxide, Ba 3 NdMn 2 O 9 , has been prepared by traditional solid-state reaction method and the presence of chemical phase separation phenomenon has been revealed by transmission electron microscopy. The perfect grains of the compound have an average chemical composition of Ba 4 NdMn 3 O 12 (mainly for cationic ratio) according to the characterization by TEM-EDX. In this perfect 12R-type structure with composition Ba 4 NdMn 3 O 12 , the Nd cations are located in the corner-sharing octahedra, whereas the Mn cations are located in the face-sharing octahedra, leading to a remarkable cation ordering. Superstructure modulation was found to be a common phenomenon in the 12R polytype and the modulated areas were revealed by both EDX and EELS to be Nd rich compared to the perfect areas. This result together with the previous work [A.F. Fuentes, K. Boulahya, U. Amador, J. Solid State Chem. 177 (2004) 714] has shown that, for the rare-earth-containing Ba-RE-Mn-O systems (RE being rare-earth elements), the composition Ba 4 REMn 3 O 12 (mainly for cationic ratio) is required for the formation of perfect 12R polytype

Cerium luminescence in nd0 perovskites

International Nuclear Information System (INIS)

Setlur, A.A.; Happek, U.

2010-01-01

The luminescence of Ce 3+ in perovskite (ABO 3 ) hosts with nd 0 B-site cations, specifically Ca(Hf,Zr)O 3 and (La,Gd)ScO 3 , is investigated in this report. The energy position of the Ce 3+ excitation and emission bands in these perovskites is compared to those of typical Al 3+ perovskites; we find a Ce 3+ 5d 1 centroid shift and Stokes shift that are larger versus the corresponding values for the Al 3+ perovskites. It is also shown that Ce 3+ luminescence quenching is due to Ce 3+ photoionization. The comparison between these perovskites shows reasonable correlations between Ce 3+ luminescence quenching, the energy position of the Ce 3+ 5d 1 excited state with respect to the host conduction band, and the host composition. - Graphical abstract: Ce 3+ decay times versus temperature for perovskites with nd 0 B-site cations.

Combustion synthesis and characterization of porous perovskite ...

Indian Academy of Sciences (India)

TECS

But those perovskite-structural complex oxides produced via ... and cobalt nitrates in a desired molar ratio were dis- solved in a ... At pH 6-7 (ammonia adjustor), ... areas were measured by nitrogen adsorption-desorp- .... The obtained oxide.

Photoresponse of CsPbBr3 and Cs4PbBr6 Perovskite Single Crystals.

Science.gov (United States)

Cha, Ji-Hyun; Han, Jae Hoon; Yin, Wenping; Park, Cheolwoo; Park, Yongmin; Ahn, Tae Kyu; Cho, Jeong Ho; Jung, Duk-Young

2017-02-02

High-quality and millimeter-sized perovskite single crystals of CsPbBr 3 and Cs 4 PbBr 6 were prepared in organic solvents and studied for correlation between photocurrent generation and photoluminescence (PL) emission. The CsPbBr 3 crystals, which have a 3D perovskite structure, showed a highly sensitive photoresponse and poor PL signal. In contrast, Cs 4 PbBr 6 crystals, which have a 0D perovskite structure, exhibited more than 1 order of magnitude higher PL intensity than CsPbBr 3 , which generated an ultralow photoresponse under illumination. Their contrasting optoelectrical characteristics were attributed to different exciton binding energies, induced by coordination geometry of the [PbBr 6 ] 4- octahedron sublattices. This work correlated the local structures of lead in the primitive perovskite and its derivatives to PL spectra as well as photoconductivity.

Prospects of e-beam evaporated molybdenum oxide as a hole transport layer for perovskite solar cells

Science.gov (United States)

Ali, F.; Khoshsirat, N.; Duffin, J. L.; Wang, H.; Ostrikov, K.; Bell, J. M.; Tesfamichael, T.

2017-09-01

Perovskite solar cells have emerged as one of the most efficient and low cost technologies for delivering of solar electricity due to their exceptional optical and electrical properties. Commercialization of the perovskite solar cells is, however, limited because of the higher cost and environmentally sensitive organic hole transport materials such as spiro-OMETAD and PEDOT:PSS. In this study, an empirical simulation was performed using the Solar Cell Capacitance Simulator software to explore the MoOx thin film as an alternative hole transport material for perovskite solar cells. In the simulation, properties of MoOx thin films deposited by the electron beam evaporation technique from high purity (99.99%) MoO3 pellets at different substrate temperatures (room temperature, 100 °C and 200 °C) were used as input parameters. The films were highly transparent (>80%) and have low surface roughness (≤2 nm) with bandgap energy ranging between 3.75 eV and 3.45 eV. Device simulation has shown that the MoOx deposited at room temperature can work in both the regular and inverted structures of the perovskite solar cell with a promising efficiency of 18.25%. Manufacturing of the full device is planned in order to utilize the MoOx as an alternative hole transport material for improved performance, good stability, and low cost of the perovskite solar cell.

Effect of mechanical milling on barium titanate (BaTiO3) perovskite

Science.gov (United States)

Singh, Rajan Kumar; Sanodia, Sagar; Jain, Neha; Kumar, Ranveer

2018-05-01

Commercial Barium Titanate BaTiO3 (BT) is milled by planetary ball mill in acetone medium using stainless steel bowl & ball for different hours. BT is an important perovskite oxide with structure ABO3. BT has applications in electro-optic devices, energy storing devices such as photovoltaic cells, thermistors, multiceramic capacitors & DRAMs etc. BT is non-toxic & environment friendly ceramic with high dielectric and piezoelectric property so it can be used as the substitute of PZT & PbTiO3. Here, we have investigated the effect of milling time and temperature on particle size and phase transition of BT powder. We used use Raman spectroscopy for studying the spectra of BT; XRD is used for structural study. Intensity (height) of Raman spectra and XRD spectra continuously decrease with increasing the milling hours and width if these spectra increases which indicates, decrease in BT size.

Perovskite-Perovskite Homojunctions via Compositional Doping.

Science.gov (United States)

Dänekamp, Benedikt; Müller, Christian; Sendner, Michael; Boix, Pablo P; Sessolo, Michele; Lovrincic, Robert; Bolink, Henk J

2018-05-11

One of the most important properties of semiconductors is the possibility of controlling their electronic behavior via intentional doping. Despite the unprecedented progress in the understanding of hybrid metal halide perovskites, extrinsic doping of perovskite remains nearly unexplored and perovskite-perovskite homojunctions have not been reported. Here we present a perovskite-perovskite homojunction obtained by vacuum deposition of stoichiometrically tuned methylammonium lead iodide (MAPI) films. Doping is realized by adjusting the relative deposition rates of MAI and PbI 2 , obtaining p-type (MAI excess) and n-type (MAI defect) MAPI. The successful stoichiometry change in the thin films is confirmed by infrared spectroscopy, which allows us to determine the MA content in the films. We analyzed the resulting thin-film junction by cross-sectional scanning Kelvin probe microscopy (SKPM) and found a contact potential difference (CPD) of 250 mV between the two differently doped perovskite layers. Planar diodes built with the perovskite-perovskite homojunction show the feasibility of our approach for implementation in devices.

Constructing Efficient and Stable Perovskite Solar Cells via Interconnecting Perovskite Grains.

Science.gov (United States)

Hou, Xian; Huang, Sumei; Ou-Yang, Wei; Pan, Likun; Sun, Zhuo; Chen, Xiaohong

2017-10-11

A high-quality perovskite film with interconnected perovskite grains was obtained by incorporating terephthalic acid (TPA) additive into the perovskite precursor solution. The presence of TPA changed the crystallization kinetics of the perovskite film and promoted lateral growth of grains in the vicinity of crystal boundaries. As a result, sheet-shaped perovskite was formed and covered onto the bottom grains, which made some adjacent grains partly merge together to form grains-interconnected perovskite film. Perovskite solar cells (PSCs) with TPA additive exhibited a power conversion efficiency (PCE) of 18.51% with less hysteresis, which is obviously higher than that of pristine cells (15.53%). PSCs without and with TPA additive retain 18 and 51% of the initial PCE value, respectively, aging for 35 days exposed to relative humidity 30% in air without encapsulation. Furthermore, MAPbI 3 film with TPA additive shows superior thermal stability to the pristine one under 100 °C baking. The results indicate that the presence of TPA in perovskite film can greatly improve the performance of PSCs as well as their moisture resistance and thermal stability.

Fullerene-Based Electron Transport Layers for Semi-Transparent MAPbBr3 Perovskite Films in Planar Perovskite Solar Cells

Directory of Open Access Journals (Sweden)

Lung-Chien Chen

2016-10-01

Full Text Available In this study, four kinds of structures—[6,6]-phenyl-C61-butyric acid methyl ester (PCBM, PCBM/fullerene (C60, C60/bathocuproine (BCP, and PCBM/C60/BCP—were used as electron transport layers, and the structure, and optical and electronic behaviors of MAPbBr3 perovskite layers after annealing treatments were observed. The experimental results indicate that PCBM/C60 bi-layer structure is acceptable for MAPbBr3 planar perovskite solar cells due to electron step transporting. Low-temperature annealing is suitable for smooth and large grain MAPbBr3 films. The semi-transparent yellow C60/PCBM/MAPbBr3/PEDOT:PSS/ITO glass-structure solar cells exhibit the best performance with a power conversion efficiency of 4.19%. The solar cells are revealed to be suitable for application in building integrated photovoltaic (BIPV systems.

High performance protonic ceramic membrane fuel cells (PCMFCs) with Sm{sub 0.5}Sr{sub 0.5}CoO{sub 3-{delta}} perovskite cathode

Energy Technology Data Exchange (ETDEWEB)

Ding Hanping [Department of Mechanical Engineering, University of South Carolina, Columbia, SC 29208 (United States); Department of Materials Science and Engineering, University of Science and Technology of China (USTC), Hefei 230026 (China); Xue Xingjian, E-mail: Xue@cec.sc.ed [Department of Mechanical Engineering, University of South Carolina, Columbia, SC 29208 (United States); Liu Xingqin; Meng Guangyao [Department of Materials Science and Engineering, University of Science and Technology of China (USTC), Hefei 230026 (China)

2010-04-02

Protonic ceramic membrane fuel cells (PCMFCs) based on proton-conducting electrolytes have attracted much attention because of many advantages, such as low activation energy and high energy efficiency. A stable, easily sintered perovskite oxide BaCe{sub 0.5}Zr{sub 0.3}Y{sub 0.16}Zn{sub 0.04}O{sub 3-{delta}} (BCZYZ) as electrolyte for proton-conducting solid oxide fuel cells (SOFCs) with Sm{sub 0.5}Sr{sub 0.5}CoO{sub 3-{delta}} (SSC) composite cathode is investigated. By fabricating thin membrane BCZYZ electrolyte ({approx}20 {mu}m) synthesized by a modified Pechini method on NiO-BCZYZ anode support, PCMFCs are assembled and tested by selecting SSC perovskite cathode with high mixed ionic and electronic conductivities. An open-circuit potential of 1.015 V, a maximal power density of 528 mW cm{sup -2}, and a low polarization resistance of the electrodes of 0.15 {Omega} cm{sup 2} is achieved at 700 {sup o}C. The results indicate that BCZYZ proton-conducting electrolyte with SSC cathode is a promising material system for SOFCs.

Stability Issues on Perovskite Solar Cells

Directory of Open Access Journals (Sweden)

Xing Zhao

2015-11-01

Full Text Available Organo lead halide perovskite materials like methylammonium lead iodide (CH3NH3PbI3 and formamidinium lead iodide (HC(NH22PbI3 show superb opto-electronic properties. Based on these perovskite light absorbers, power conversion efficiencies of the perovskite solar cells employing hole transporting layers have increased from 9.7% to 20.1% within just three years. Thus, it is apparent that perovskite solar cell is a promising next generation photovoltaic technology. However, the unstable nature of perovskite was observed when exposing it to continuous illumination, moisture and high temperature, impeding the commercial development in the long run and thus becoming the main issue that needs to be solved urgently. Here, we discuss the factors affecting instability of perovskite and give some perspectives about further enhancement of stability of perovskite solar cell.

Band gap engineering strategy via polarization rotation in perovskite ferroelectrics

International Nuclear Information System (INIS)

Wang, Fenggong; Grinberg, Ilya; Rappe, Andrew M.

2014-01-01

We propose a strategy to engineer the band gaps of perovskite oxide ferroelectrics, supported by first principles calculations. We find that the band gaps of perovskites can be substantially reduced by as much as 1.2 eV through local rhombohedral-to-tetragonal structural transition. Furthermore, the strong polarization of the rhombohedral perovskite is largely preserved by its tetragonal counterpart. The B-cation off-center displacements and the resulting enhancement of the antibonding character in the conduction band give rise to the wider band gaps of the rhombohedral perovskites. The correlation between the structure, polarization orientation, and electronic structure lays a good foundation for understanding the physics of more complex perovskite solid solutions and provides a route for the design of photovoltaic perovskite ferroelectrics

Engineering Interfacial Charge Transfer in CsPbBr3 Perovskite Nanocrystals by Heterovalent Doping.

Science.gov (United States)

Begum, Raihana; Parida, Manas R; Abdelhady, Ahmed L; Murali, Banavoth; Alyami, Noktan M; Ahmed, Ghada H; Hedhili, Mohamed Nejib; Bakr, Osman M; Mohammed, Omar F

2017-01-18

Since compelling device efficiencies of perovskite solar cells have been achieved, investigative efforts have turned to understand other key challenges in these systems, such as engineering interfacial energy-level alignment and charge transfer (CT). However, these types of studies on perovskite thin-film devices are impeded by the morphological and compositional heterogeneity of the films and their ill-defined surfaces. Here, we use well-defined ligand-protected perovskite nanocrystals (NCs) as model systems to elucidate the role of heterovalent doping on charge-carrier dynamics and energy level alignment at the interface of perovskite NCs with molecular acceptors. More specifically, we develop an in situ doping approach for colloidal CsPbBr 3 perovskite NCs with heterovalent Bi 3+ ions by hot injection to precisely tune their band structure and excited-state dynamics. This synthetic method allowed us to map the impact of doping on CT from the NCs to different molecular acceptors. Using time-resolved spectroscopy with broadband capability, we clearly demonstrate that CT at the interface of NCs can be tuned and promoted by metal ion doping. We found that doping increases the energy difference between states of the molecular acceptor and the donor moieties, subsequently facilitating the interfacial CT process. This work highlights the key variable components not only for promoting interfacial CT in perovskites, but also for establishing a higher degree of precision and control over the surface and the interface of perovskite molecular acceptors.

Engineering Interfacial Charge Transfer in CsPbBr3 Perovskite Nanocrystals by Heterovalent Doping

KAUST Repository

Begum, Raihana

2016-12-17

Since compelling device efficiencies of perovskite solar cells have been achieved, investigative efforts have turned to understand other key challenges in these systems, such as engineering interfacial energy-level alignment and charge transfer (CT). However, these types of studies on perovskite thin-film devices are impeded by the morphological and compositional heterogeneity of the films and their ill-defined surfaces. Here, we use well-defined ligand-protected perovskite nanocrystals (NCs) as model systems to elucidate the role of heterovalent doping on charge-carrier dynamics and energy level alignment at the interface of perovskite NCs with molecular acceptors. More specifically, we develop an in situ doping approach for colloidal CsPbBr3 perovskite NCs with heterovalent Bi3+ ions by hot injection to precisely tune their band structure and excited-state dynamics. This synthetic method allowed us to map the impact of doping on CT from the NCs to different molecular acceptors. Using time-resolved spectroscopy with broadband capability, we clearly demonstrate that CT at the interface of NCs can be tuned and promoted by metal ion doping. We found that doping increases the energy difference between states of the molecular acceptor and the donor moieties, subsequently facilitating the interfacial CT process. This work highlights the key variable components not only for promoting interfacial CT in perovskites, but also for establishing a higher degree of precision and control over the surface and the interface of perovskite molecular acceptors.

Influence of iridium on the reactivity of LaFeO3 base perovskites

DEFF Research Database (Denmark)

Kindermann, L.; Das, D.; Bahadur, D.

1998-01-01

The influence of iridium on the reactivity of powder mixtures made of perovskites and 8 mol% yttria stabilized zirconia (8 YSZ) is reported. Iridium is added to the perovskites of the composition (La0.6M0.4)(z)Fe0.8TM0.2O3-delta (M = Sr, Ca; TM = Mn, Co; z = 0.90, 1.00) via the gaseous phase....... Iridium is present in the perovskite lattice as Ir4+ replacing iron as is evident from XRD and TEM/EDX results. Compatibility studies carried out at 1000 degrees C demonstrate that iridium has considerable influence on the reactivity. The results are discussed with respect to the stability...... of the perovskites, thermodynamic activities, Ir(IV)-O bonding, tolerance factor and oxygen migration....

Hybrid perovskite resulting from the solid-state reaction between the organic cations and perovskite layers of alpha1-(Br-(CH(2))(2)-NH(3))(2)PbI(4).

Science.gov (United States)

Sourisseau, Sebastien; Louvain, Nicolas; Bi, Wenhua; Mercier, Nicolas; Rondeau, David; Buzaré, Jean-Yves; Legein, Christophe

2007-07-23

The alpha1-(Br-(CH(2))(2)-NH(3))(2)PbI(4) hybrid perovskite undergoes a solid-state transformation, that is, the reaction between the organic cations and the perovskite layers to give the new hybrid perovskite (Br-(CH(2))(2)-NH(3))(2-x)(I-(CH(2))(2)-NH(3))(x)PbBr(x)I(4-x), based on mixed halide inorganic layers. This transformation has been followed by a conventional powder X-ray diffraction system equipped with a super speed detector, and both solid-state (13)C NMR and ESI/MS measurements have been adopted in the estimation of the rate of halide substitution. The first reaction step leads to the special composition of x approximately 1 (A phase), while the complete substitution is not achieved even at elevated temperature (x(max) approximately 1.85 (B phase)). This unprecedented solid-state reaction between organic and inorganic components of a hybrid perovskite can be considered as a completely new strategy to achieve interesting hybrid perovskites.

Atomistic Modeling of Cation Diffusion in Transition Metal Perovskites La1-xSrxMnO3+/-δfor Solid Oxide Fuel Cell Cathodes Applications

Science.gov (United States)

Lee, Yueh-Lin; Duan, Yuhua; Morgan, Dane; Sorescu, Dan; Abernathy, Harry

Cation diffusion in La1-xSrxMnO3+/-δ (LSM) and in related perovskite materials play an important role in controlling long term performance and stability of solid oxide fuel cell (SOFCs) cathodes. Due to sluggish rates of cation diffusion and complex coupling between defect chemistry and cation diffusion pathways, currently there is still lack of quantitative theoretical model predictions on cation diffusivity vs. T and P(O2) to describe experimental cation tracer diffusivities. In this work, based on ab initio modeling of LSM defect chemistry and migration barriers of the possible cation diffusion pathways, we assess the rates of A-site and B-site cation diffusion in a wide range of T and P(O2) at x =0.0 and 0.2 for SOFC applications. We demonstrate the active cation diffusion pathways in LSM involve cation defect clusters as cation transport carriers, where reduction in the cation migration barriers, which are governed by the steric effect associated with the metal-oxygen cage in the perovskite lattice, is much greater than the penalty of repulsive interaction in the A-site and B-site cation vacancy clusters, leading to higher cation diffusion rates as compared to those of single cation vacancy hopping mechanisms. The predicted Mn and La/Sr cation self-diffusion coefficients of LSM at at x =0.0 and 0.2 along with their 1/T and P(O2) dependences, are in good agreement with the experimental tracer diffusion coefficients.

Homogeneous Synthesis and Electroluminescence Device of Highly Luminescent CsPbBr3 Perovskite Nanocrystals.

Science.gov (United States)

Wei, Song; Yang, Yanchun; Kang, Xiaojiao; Wang, Lan; Huang, Lijian; Pan, Daocheng

2017-03-06

Highly luminescent CsPbBr 3 perovskite nanocrystals (PNCs) are homogeneously synthesized by mixing toluene solutions of PbBr 2 and cesium oleate at room temperature in open air. We found that PbBr 2 can be easily dissolved in nonpolar toluene in the presence of tetraoctylammonium bromide, which allows us to homogeneously prepare CsPbBr 3 perovskite quantum dots and prevents the use of harmful polar organic solvents, such as N,N-dimethylformamide, dimethyl sulfoxide, and N-methyl-2-pyrrolidone. Additionally, this method can be extended to synthesize highly luminescent CH 3 NH 3 PbBr 3 perovskite quantum dots. An electroluminescence device with a maximal luminance of 110 cd/m 2 has been fabricated by using high-quality CsPbBr 3 PNCs as the emitting layer.

Stability of perovskite solar cells on flexible substrates

Science.gov (United States)

Tam, Ho Won; Chen, Wei; Liu, Fangzhou; He, Yanling; Leung, Tik Lun; Wang, Yushu; Wong, Man Kwong; Djurišić, Aleksandra B.; Ng, Alan Man Ching; He, Zhubing; Chan, Wai Kin; Tang, Jinyao

2018-02-01

Perovskite solar cells are emerging photovoltaic technology with potential for low cost, high efficiency devices. Currently, flexible devices efficiencies over 15% have been achieved. Flexible devices are of significant interest for achieving very low production cost via roll-to-roll processing. However, the stability of perovskite devices remains a significant challenge. Unlike glass substrate which has negligible water vapor transmission rate (WVTR), polymeric flexible film substrates suffer from high moisture permeability. As PET and PEN flexible substrates exhibit higher water permeability then glass, transparent flexible backside encapsulation should be used to maximize light harvesting in perovskite layer while WVTR should be low enough. Wide band gap materials are transparent in the visible spectral range low temperature processable and can be a moisture barrier. For flexible substrates, approaches like atomic layer deposition (ALD) and low temperature solution processing could be used for metal oxide deposition. In this work, ALD SnO2, TiO2, Al2O3 and solution processed spin-on-glass was used as the barrier layer on the polymeric side of indium tin oxide (ITO) coated PEN substrates. The UV-Vis transmission spectra of the prepared substrates were investigated. Perovskite solar cells will be fabricated and stability of the devices were encapsulated with copolymer films on the top side and tested under standard ISOS-L-1 protocol and then compared to the commercial unmodified ITO/PET or ITO/PEN substrates. In addition, devices with copolymer films laminated on both sides successfully surviving more than 300 hours upon continuous AM1.5G illumination were demonstrated.

Topotactic synthesis of strontium cobalt oxyhydride thin film with perovskite structure

Science.gov (United States)

Katayama, Tsukasa; Chikamatsu, Akira; Kamisaka, Hideyuki; Yokoyama, Yuichi; Hirata, Yasuyuki; Wadati, Hiroki; Fukumura, Tomoteru; Hasegawa, Tetsuya

2015-10-01

The substitution of hydride anions (H-) into transition metal oxides has recently become possible through topotactic reactions or high-pressure synthesis methods. However, the fabrication of oxyhydrides is still difficult because of their inherently less-stable frameworks. In this study, we successfully fabricated perovskite SrCoOxHy thin films via the topotactic hydride doping of brownmillerite SrCoO2.5 epitaxial thin films with CaH2. The perovskite-type cation framework was maintained during the topotactic treatment owing to epitaxial stabilization. Structural and chemical analyses accompanied by X-ray absorption spectroscopy measurements revealed that the doped hydride ions form a two-dimensional network of Co-H--Co bonds, in contrast to other reported perovskite oxyhydrides, SrMO3-xHx (M = Cr, Ti, V). The SrCoOxHy thin film exhibited insulating behavior and had a direct band gap of 2.1 eV. Thus, topotactic hydride doping of transition-metal-oxide thin films on suitable substrates is a promising method for the synthesis of new transition metal oxyhydrides.

Topotactic synthesis of strontium cobalt oxyhydride thin film with perovskite structure

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Tsukasa Katayama

2015-10-01

Full Text Available The substitution of hydride anions (H− into transition metal oxides has recently become possible through topotactic reactions or high-pressure synthesis methods. However, the fabrication of oxyhydrides is still difficult because of their inherently less-stable frameworks. In this study, we successfully fabricated perovskite SrCoOxHy thin films via the topotactic hydride doping of brownmillerite SrCoO2.5 epitaxial thin films with CaH2. The perovskite-type cation framework was maintained during the topotactic treatment owing to epitaxial stabilization. Structural and chemical analyses accompanied by X-ray absorption spectroscopy measurements revealed that the doped hydride ions form a two-dimensional network of Co-H−-Co bonds, in contrast to other reported perovskite oxyhydrides, SrMO3−xHx (M = Cr, Ti, V. The SrCoOxHy thin film exhibited insulating behavior and had a direct band gap of 2.1 eV. Thus, topotactic hydride doping of transition-metal-oxide thin films on suitable substrates is a promising method for the synthesis of new transition metal oxyhydrides.

Calcium doped MAPbI3 with better energy state alignment in perovskite solar cells

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Lu, Chaojie; Zhang, Jing; Hou, Dagang; Gan, Xinlei; Sun, Hongrui; Zeng, Zhaobing; Chen, Renjie; Tian, Hui; Xiong, Qi; Zhang, Ying; Li, Yuanyuan; Zhu, Yuejin

2018-05-01