Oxygen Vacancy Hydrogen

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Oxygen vacancy ordering in iron-doped calcium titanate

iron, > 0.2 mole, oxygen vacancies form ordered structures, which decrease the oxygen ionic conductivity and hence the transport of oxygen through the material. 1.3 Objectives The goal of this research is to enhance the oxygen permeation and ionic conductivity of iron-doped calcium titanate by decreasing the oxygen vacancy

Promotion of Pt/CeO2 catalyst by hydrogen treatment for low

catalysts;34 it implies that the subsequent oxygen treatment a er hydrogen treatment can change only the density of surface oxygen vacancy with maintaining the size of Pt. Thus, the various heat-treatment conditions and their combinations can control the size of Pt and oxygen vacancy concentration at

Role of oxygen vacancy in metal oxide based

influence of oxygen vacancy on the photoelectrode in two aspects that is the optoelectrical property of semiconduc-tor and surface electrocatalysis. Before addressing these topics, the identification of oxygen vacancy will also be discussed. The perspective on how to rationally design and manage the role of oxygen vacancy in PEC will be discussed.

Hydrogen in oxide semiconductors - Cambridge

Hydrogen is usually present in oxide materials and can have a strong effect on the electrical conductivity. Two types of hydrogen donors are interstitial hydrogen, in which the proton forms an O H bond with a host oxygen atom, and substitutional hydrogen, where the proton occupies an oxygen vacancy. Hydrogen may also exist as H

H2 Dissociation and Oxygen Vacancy Formation on Ce2O3 Surfaces

H2 Dissociation and Oxygen Vacancy Formation on Ce2O3 Surfaces O. Matz, M. Calatayud To cite this version: O. Matz, M. Calatayud. H2 Dissociation and Oxygen Vacancy Formation on Ce2O3 Surfaces. Top-ics in Catalysis, Springer Verlag, 2019, 62 (12-16), pp.956-967. 10.1007/s11244-019-01183-0. hal-02496932

Macaroni‐Like Blue‐Grey Nb2O5 Nanotubes for High Reversible

5 nanotubes) which was rich in oxygen vacancy by a facile chemical vapor deposition (CVD) method and a further hydrogen annealing reduction as the anode material for LIBs, presenting a high discharge capacity of 375 mA h g-1 at 100 mA g-1 and a good rate performance up to 5 A g-1 with 126 mA h g-1.

Unusual Fe H bonding associated with oxygen vacancies at the

Jul 09, 2016 on oxygen vacancy concentrations, is further confirmed with DFT calculations. The results demonstrate an opportunity for tuning the chemical properties of oxide surfaces or oxide clusters. 1. Introduction The adsorption of hydrogen on oxides is a fundamental chemical reaction. This reaction is associated with many areas in science and

Involvement of hydrogen-vacancy complexes in the baking

diffusion of interstitial oxygen after baking, as illustrated in Fig. 2 taken from Ref. [3]. Moreover, cavity rf perfor-mances are much deteriorated when the diffusion of inter-stitial oxygen is noticed. Even if interstitial oxygen diffusion cannot be involved, other species including hydrogen atoms and vacancies

A Multifunctional Isostructural Bilayer Oxygen Evolution

Coralli, et al. Science and Engineering of Hydrogen-Based Energy Technologies, Hydrogen Production and Practical Applications in Energy Generation, 2019, p39-122. Electrolyte OE O 2 r OER <

Colossal oxygen vacancy formation at a fluorite-bixbyite

catalyst6 and oxygen storage component4. Because the key ele-ment is the oxygen vacancy7, the creation of oxygen vacancies is a prerequisite for such CeO 2-based ionic materials and devices. CeO 2 has a fluorite-type structure with a coordination number of 8 for Ce to O atoms8, so aliovalent chemical doping (e.g., yttrium,

Understanding the Nature of Ammonia Treatment to Synthesize

Treatment to Synthesize Oxygen Vacancy-Enriched Transition Metal Oxides Dali Liu,1 ,46Changhong Wang,2 3Yifu Yu, 1Bo-Hang Zhao, Weichao Wang, * Yonghua Du,5 and Bin Zhang1 ,4 7 * SUMMARY Oxygen vacancies (OVs) have emerged as an important strategy to modulate the electronic structures, conductivity, and catalytic performance of transition

Thermal conductivity control by oxygen defect concentration

cooling. The sample annealed in hydrogen (T5) was set as the reference oxygen vacancy concentration at d¼0.05 (meaning that all of the Pr4þ cations are reduced to Pr3þ).18 The oxygen vacancy in the nominally undoped ceria film (T7) was esti-mated by assuming an acceptor impurity concentration of

Tungsten Blue Oxide as a Reusable Electrocatalyst for Acidic

3, vacancy engineering, plasma, acid-ic OER, reusable electrocatalyst Water electrolysis is a process that can electrocatalyti-cally dissociate water into molecular O 2 via oxygen evo-lution reaction (OER) and H 2 via hydrogen evolution reaction (HER), which promises an efficient way to produce hydrogen fuel.1,2 Compared with alkaline

Hydrogen Interactions With Semiconductors And Oxides

We have also studied substitutional hydrogen on an oxygen site (which can also be regarded as a complex consisting of an oxygen vacancy and a hydrogen atom). The calculated binding energy, expressed with respect to H+ and V O, is 0.8 eV. The hydro-gen atom is located close to the nominal oxygen lattice position (to within 0.05 Å).

Continuous hydrogen regeneration through the oxygen vacancy

obtain hydrogen from water.1 4 The thermochemical cycle is a method of generating hydrogen using the oxidation and reduction reactions of water at certain temperatures. Metal oxide materials are widely used for thermochemical hydrogen generation.5 8 Depending on the nature of the metal oxide material, the oxygen vacancies can ll in the

Electrical characterization of hydrogen vacancy related

of multiple hydrogen-related levels. A firm correlation between the reported donor and acceptor states of the vacancy oxygen hydrogen (VOH) complex is established in p-type samples, providing data on formation and annealing of both states. In the n-type samples, there is a rapid formation of a hydrogen-related

Nanostructured hexagonal ReO3 with oxygen vacancies for

Apr 18, 2020 lower Gibbs free energy facilitating hydrogen evolution. Supplementary material for this article is available online Keywords: ReO 3, oxygen vacancy, electrocatalysts, hydrogen evolution reaction, inorganic nanomaterials (Some figures may appear in colour only in the online journal) 1. Introduction Producing hydrogen by electrocatalytic

Role of Hydrogen in Active Layer of Oxide- Semiconductor

Abstract: Hydrogen in oxide systems plays a very important role in determining the major physical characteristics of such systems. In this study, we investigated the effect of hydrogen in oxide host systems for various oxygen environments that acted as amorphous oxide semiconductors.

Studies of the Adsorption of SO2, H2 and O2 on a Cr2O3

may be regarded as the time necessary to create an oxygen vacancy, the activation energy for such a process being 21.1 kl/mol,A hydrogen moleculeis then adsorbed on to the oxygen vacancy possibly as a hydride ion. and leading to the initial increase in the conductivity. The hydride ion then migrated to a chemisorbed oxy­

Implication of the role of oxygen anions and oxygen vacancies

Implication of the role of oxygen anions and oxygen vacancies for methanol decomposition over zirconia supported copper catalysts Gui-Sheng Wu, Lu-Cun Wang, Yong-Mei Liu, Yong Cao*, Wei-Lin Dai, He-Yong He, Kang-Nian Fan* Department of Chemistry & Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials,

Theoretical calculations of hydrogen adsorption by SnO2 (110

the oxygen vacancy formation energies on SnO. 2. 110 sur-face as a function of In doping level. Interaction of hydrogen with the most stable configurations of indium-doped SnO. 2. surfaces is also investigated. It is found that the binding en-ergy of adsorbed hydrogen atoms with the slab displays a maximum at 3 6 at. % of indium doping. This

Self-diffusion and impurity diffusion of hydrogen, oxygen

Hydrogen is a mobile element, and will be able to diffuse through 5 cm of copper during a time period of 1,000 years at room temperature. The diffusion of hydrogen in copper is experimentally well studied down to room temperature. By combining the evaluated hydrogen diffusion coefficient with the

The Role of Surface Oxygen Vacancies in BiVO

the improved conductivity in samples with lower oxygen vacancy concentration to the fact that oxygen vacancies may act as trap and recombination sites. In direct contrast, Zhang et al.30 reported an improved electron conductivity for samples of higher oxygen vacancy concentration grown via pulsed laser Received: December 6, 2019 Revised: March

Oxygen‐Deficient Cobalt‐Based Oxides for Electrocatalytic

particular, oxygen vacancy modulation on electrocatalysts of cobalt-based TMOs has seen a fresh spike of research work due to the substantial improvements they have shown towards oxygen evolution reaction (OER) and hydrogen evolution reaction (HER). Oxygen vacancy engineering is an effective scheme to quintessentially tune the electronic

First-principles investigation of BiVO3 for thermochemical

The oxygen vacancy formation energy DEO v is the energy change upon removal of a single oxygen atom from the bulk crystal. It is defined as follows: DEO v ¼ 1 d E ABO 3 d ABO3 m O (3) where dis the oxygen off-stoichiometry ( ≪1), E ABO3 d is the total energy of the crystal with vacancies, E ABO3 is the total

Engineering oxygen vacancy on rutile TiO for efficient

Keywords: oxygen vacancy, rutile TiO 2, surface engineering, solar-driven photocatalysis, hydrogen evolution INTRODUCTION Hydrogen is considered as an environmental renewable energy source due to its high energy density and en-vironment friendly [1]. Hence, photocatalytic hydrogen production attracts much more attention recently [2 4].

A General Strategy to Boost Electrocatalytic Nitrogen

activities toward NRR and others (e.g., oxygen evolution, hydrogen evolution) of perovskite oxides can be effectively enhanced through oxygen vacancy engineering.[20 26] The main mechanism has been certified to be that B-site cations combining with their adjacent oxygen vacancies can serve as

Role of Oxygen Vacancy Defects in the Electrocatalytic

3 with no oxygen vacancies and MoO 3−x with surface oxygen vacancies. It is shown that the presence of an Mov4 ‐ O + oxygen vacancy site on the surface significantly reduces the energy barriers against ORR in the reaction pathways. An overpotential of 0.86 V (vs a reversible hydrogen electrode) with excellent electrochemical

Colossal oxygen vacancy formation at a fluorite-bixbyite

ment is the oxygen vacancy 7, the creation of oxygen vacancies is a prerequisite for such CeO 2 -based ionic materials and devices. CeO 2 has a uorite-type structure with a coordination number of

Oxygen vacancies in N doped anatase TiO2: Experiment and first

1,1 +8.8 eV to +9.7 eV. Importantly, to form an oxygen vacancy in the presence of a nitrogen substitution +3.3 to +4.2 eV, depending on location is easier than to form an O vacancy in pure TiO 2 +6.2 eV The most favorable geom-etries found for the N-substitution/Ti3+/O vacancy com-plexes are shown in Fig. 2. In Fig. 2 b , the O vacancy is on

Oxygen Vacancy Formation, Mobility, and Hydrogen Pick-up

Oxygen Vacancy Formation, Mobility, and Hydrogen Pick-up during Oxidation of Zirconium by Water Mikaela Lindgren1 Itai Panas1 Received: 21 December 2016/Published online: 4 January 2017 The Author(s) 2017. This article is published with open access at Springerlink.com Abstract A comprehensive first principles understanding of the oxidation

Production of Hydrogen - Stanford University

zITM Hydrogen/Syngas combines air separation and methane partial oxidation into a single unit operation, resulting in significant cost savings CH 4 + O2-→CO + 2H 2 + 2e-½O 2 + 2e-→O2-O2-2e-Syngas Air Spent Air Metal cation I T M M e m b r a n e Oxygen anion Oxygen vacancy CH 4 Natural Gas & Steam H 2 CO Nitrogen Oxygen H 2O

Pt/WO3 electrocatalyst Oxygen vacancy-assisted hydrogen

Oxygen vacancy-assisted hydrogen evolution reaction of Pt/WO3 electrocatalyst Han Tian,ab Xiangzhi Cui,*a Liming Zeng,ab Liang Su,a Yiling Song,ab and Jianlin Shi*a a. State Key Lab of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai, 200050, P.R. China. b.

Enhancing the Photoactivity of Faceted BiVO4 via Annealing in

of the former are oxygen (O 2) and air atmospheres, whereas the latter includes nitrogen (N 2), hydrogen (H 2), and argon (Ar) gases. Annealing of metal oxide in oxygen-rich atmosphere was demon-strated to behave differently from that in oxygen-deficient atmosphere: oxygen-rich suppresses oxygen vacancy formation, while oxygen-deficient favors it.

Unraveling the oxygen vacancy structures at the reduced ${ m

UNRAVELING THE OXYGEN VACANCY STRUCTURES AT PHYSICAL REVIEW MATERIALS 2, 035802 (2018) TABLE II. Average oxygen vacancy formation energy Ea s for SVT, SVT2, dLSVC, and ms-dLSVC on CeO 2(111) surface. Values are calculated for a p(6 × 6) supercell with different number of trilayers (TL), sampling of the reciprocal space (k-points), and

New High-Entropy Perovskite Oxides with Increased

HydroGEN: Advanced Water Splitting Materials 11 Background Oxygen Vacancy Concentration for Water Splitting The TR and GS operating conditions defines the oxygen chemical potential, µ The oxygen vacancy concentration 𝜹𝝁is calculated In order to split water at the GS condition, ∆𝜹=𝜹 −𝜹 >𝟎 Exp. TR: T = 1350 °C, pO 2

Improved Electrocatalytic Water Splitting Reaction on CeO2

oxygen vacancy in the subsurface (V O sub), which then moves to the surface (V O sur), followed by water adsorption, hydroxyl formation and hydrogen desorption through pathways presented in Figure 2. Along these reaction pathways, the ability to create an oxygen vacancy plays an important role in the further formation of the reduced CeO

Supplemental Information for: Catalytic Propane Reforming

0 K oxygen vacancy formation energies for pure CeO 2 (111) and Zr-doped CeO 2 (111). Each successive oxygen vacancy formation energy is calculated relative to a surface with one less vacancy. The 6th oxygen vacancy in Zr-doped CeO 2 is not electronically possible due the number of cerium atoms that would have to reduce, see Section 3.4.

Enhancement of the photocatalytic efficiency of WO3

As the voltage in hydrogen plasma increases, the characteristic peaks of WO 3 become broader, suggesting the decrease of WO 3 crystallinity, which is also expected for the increased amount of oxygen vacancies [39]. XPS analysis was carried out to determine the modification of surface states of WO 3 and functionalities after hydrogen plasma

Defect Generation by Hydrogen at the Si-SiO2 Interface

Hydrogen is known to passivate Si dangling bonds at the Si-SiO 2 interface, but the subsequent arrival of H1 at the interface causes depassivation of Si-H bonds. Here we report first-principles density functional calculations, showing that, contrary to conventional assumptions, depassivation is not a two-step process,