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Recent advances in high-throughput experimentation for combinatorial studies have accelerated the discovery and analysis of materials across a wide range of compositions and synthesis conditions. However, many of the more powerful…

The niobium oxide polymorph T-Nb2O5 has been extensively investigated in its bulk form especially for applications in fast-charging batteries and electrochemical (pseudo)capacitors. Its crystal structure that has two-dimensional (2D) layers…

Li$_x$CoO$_2$ based batteries have serious capacity degradation and safety issues when cycling at high-delithiation states but full and consistent mechanisms are still poorly understood. Herein, a global neural network potential (GNNP) is…

Computational Physics · Physics 2023-01-02 Pan Zhang , Cheng Shang , Zhipan Liu , Ji-Hui Yang , Xin-Gao Gong

The depth dependence of crystalline structure within thin films is critical for many technological applications, but has been impossible to measure directly using common techniques. In this work, by monitoring diffraction peak intensity and…

Applied Physics · Physics 2018-05-24 Eliot Gann , Mario Caironi , Yong-Young Noh , Yun-Hi Kim , Christopher R. McNeill

A Li-Al-O thin film materials library, deposited by inert magnetron sputtering and post-deposition annealing in O2 atmosphere, was used to study the effects of different annealing temperatures (300 to 850{\deg}C) and durations (1 min to 7…

Materials Science · Physics 2024-11-22 Florian Lourens , Detlef Rogalla , Ellen Suhr , Alfred Ludwig

To realize a chemical diffusion experiment for simple quantitative analysis of one-dimensional diffusion profiles requires the fabrication of a planar and chemically sharp interface between two phases, one serving as the diffusion source…

Li$_xTM$O$_2$ (TM={Ni, Co, Mn}) are promising cathodes for Li-ion batteries, whose electrochemical cycling performance is strongly governed by crystal structure and phase stability as a function of Li content at the atomistic scale. Here,…

This study reveals the influence of the surface energy and solid/liquid boundary condition on the breakup mechanism of dewetting ultra-thin polymer films. Using silane self-assembled monolayers, SiO$_2$ substrates are rendered hydrophobic…

Soft Condensed Matter · Physics 2017-05-03 Matthias Lessel , Joshua D. McGraw , Oliver Bäumchen , Karin Jacobs

LaAlO$_{3}$ and NdGaO$_{3}$ thin films of different thickness have been grown by pulsed laser deposition on TiO$_2$-terminated SrTiO$_{3}$ single crystals and investigated by soft X-ray photoemission spectroscopy. The surface sensitivity of…

Understanding the evolution of the physicochemical bulk properties during the Li deintercalation (charging) process is critical for optimizing battery cathode materials. In this study, we combine X-ray photoelectron spectroscopy (XPS),…

We report the structural and transport properties of LaNiO3 thin films prepared by pulsed laser deposition technique. To understand the effects of film thickness, lattice mismatch and grain size on transport properties, various oriented…

Materials Science · Physics 2017-08-29 L. Cichetto , S. Sergeenkov , J. C. C. A. Diaz , E. Longo , F. M. Araujo-Moreira

Bacterial infections are a common problem in daily life that can affect human health. Researchers are looking for valuable materials that can help prevent such infections and environmental pollutants. Thin films are a well-known application…

Materials Science · Physics 2023-12-18 Mehmet Eymen Sumer , Bengu Ozugur Uysal

Performing an analysis within density functional theory, we develop insight into the structural and electronic properties of the oxide heterostructure LaAlO3/SrTiO3. Electrostatic surface effects are decomposed from the internal lattice…

Materials Science · Physics 2015-05-13 U. Schwingenschloegl , C. Schuster

Thin films made of deformable micro- and nano-units, such as biological membranes, polymer interfaces, and particle-laden liquid surfaces, exhibit a complex behavior during drying, with consequences for various applications like wound…

The influence of oxygen stoichiometry on the uranium local environment is explored in epitaxial single crystal uranium oxide thin films grown by DC magnetron sputtering. Through post-growth annealing, the stoichiometry of as-grown UO$_{2}$…

Transition metal spinel oxides comprised of Earth-abundant Mn and Co have long been explored for their use in catalytic reactions and energy storage. However, understanding of functional properties can be challenging due to differences in…

Nickel-based layered oxides offer an attractive platform for the development of energy-dense cobalt-free cathodes for lithium-ion batteries but suffer from degradation via oxygen gas release during electrochemical cycling. While such…

Materials Science · Physics 2022-04-29 Xinhao Li , Qian Wang , Haoyue Guo , Nongnuch Artrith , Alexander Urban

We present an image processing algorithm developed for quantitative analysis of directional solidification of metal alloys in thin cells using X-ray imaging. Our methodology allows to identify the fluid volume, fluid channels and cavities,…

Materials Science · Physics 2023-08-02 Mihails Birjukovs , Natalia Shevchenko , Sven Eckert

We analyze X-ray diffraction data used to extract cell parameters of ultrathin films on closely matching substrates. We focus on epitaxial La2/3Sr1/3MnO3 films grown on (001) SrTiO3 single crystalline substrates. It will be shown that, due…

Materials Science · Physics 2013-01-29 D. Pesquera , R. Bachelet , G. Herranz , J. Fontcuberta , X. Marti , V. Holy

Photocatalytic materials are pivotal for the implementation of disruptive clean energy applications such as conversion of H$_{2}$O and CO$_{2}$ into fuels and chemicals driven by solar energy. However, efficient and cost-effective materials…

Materials Science · Physics 2019-09-04 Zhao Liu , Joel Shenoy , Cesar Menéndez , Judy N. Hart , Charles C. Sorrell , Claudio Cazorla