相关论文: Factors controlling oxygen migration barriers in p…
Transition-metal perovskite oxides constitute a series of functional material systems for electronics, catalysis and energy-conversion processes, in which oxygen migration and evolution play a key role. However, the stable metal-oxygen…
Fast oxygen transport materials are necessary for a range of technologies, including efficient and cost-effective solid oxide fuel cells, gas separation membranes, oxygen sensors, chemical looping devices, and memristors. Strain is often…
The oxygen-exchange behavior has been studied in half-doped manganese and cobalt perovskite oxides. We have found that the oxygen diffusivity in Gd_{0.5}Ba_{0.5}MnO_{3-\delta} can be enhanced by orders of magnitude by inducing…
Highly efficient oxygen active materials that react with, absorb, and transport oxygen is essential for fuel cells, electrolyzers and related applications. While vacancy mediated oxygen ion conductors have long been the focus of research,…
The discovery and design of new materials which can efficiently catalyze the oxygen reduction and evolution reactions at reduced temperatures is important for facilitating the widespread adoption of fuel cell and electrolyzer technologies.…
Transition metal oxides (TMOs) like MoOx are increasingly explored as hole transport layers for perovskite-based solar cells. Due to their large work function, the hole collection mechanism of such solar cells are fundamentally different…
Oxygen transport membranes (OTMs), enabling catalytic reaction and gas separation, support crucial chemical engineering processes and decarbonization technologies, but their applications are hindered by limited oxygen permeation fluxes and…
Ordered oxygen vacancies (OOVs) in perovskites can exhibit long-range order and may be used to direct materials properties through modifications in electronic structures and broken symmetries. Based on the various vacancy patterns observed…
Proton-conducting solid oxide fuel cells (PC-SOFCs) are pivotal for their high proton conductivity and superior performance. The proton conduction mechanism is commonly described by the Grotthuss mechanism, involving proton rotation and…
Nonstoichiometric perovskite-related oxides (such as ferrites and cobaltites, etc.) are characterized by fast oxygen transport at ambient temperatures, which relates to the microstructural texturing of these materials, consisting wholly of…
Electronic structure descriptors are computationally efficient quantities used to construct qualitative correlations for a variety of properties. In particular, the oxygen p-band center has been used to guide material discovery and…
Recent research on perovskite solar cells has caught much attention for the application in renewable energy materials. However, the effect of external dopants on the performance of perovskite solar cell is yet to be understood properly.…
The correlation between ex situ electronic conductivity, oxygen vacancy content, flat-band potential (Efb), and the oxygen evolution reaction (OER) activity for a wide range of perovskite compositions are investigated experimentally and…
Orientation control of oxygen vacancy channel (OVC) is a highly desirable for tailoring oxygen diffusion as it serves fast transport channel in ion conductors, which is widespread exploited in solid-state fuel cells, catalysts, and…
A methodical inquiry of the outcome of oxygen plasma exposure in low bandwidth compounds belonging to the perovskite family Pr1-xSrxMnO3 manganites where x = 0.5, has been presented in this communication by comparing the structural and…
New highly oxygen-active materials may enhance many energy-related technologies by enabling efficient oxygen-ion transport at lower temperatures, e.g., below 400 Celsius. Interstitial oxygen conductors have the potential to realize such…
To design and discover new materials for next-generation energy materials such as solid-oxide fuel cells (SOFCs), a fundamental understanding of their ionic properties and behaviors is essential. The potential applicability of a material…
Transition metal oxides are promising candidates for thermoelectric applications, because they are stable at high temperature and because strong electronic correlations can generate large Seebeck coefficients, but their thermoelectric power…
Oxygen migration in silicon corresponds to an apparently simple jump between neighboring bridge sites. Yet, extensive theoretical calculations have so far produced conflicting results and have failed to provide a satisfactory account of the…
We use density functional calculations to investigate the accommodation and migration of oxygen vacancies in bulk hexagonal YMnO$_3$, and to study interactions between neutral ferroelectric domain walls and oxygen vacancies. Our…