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High-entropy materials have emerged as a promising class of catalysts, driven by their high configurational entropy originating from structural disorder in single-phase multicomponent systems. Despite their potential, the catalytic…

Materials Science · Physics 2025-12-23 Anjali Varshney , Aishwery J. Verma , Ritesh Dubey , Sushil Kumar , Tapas Goswami , Samar Layek

In this work we outline the mechanisms contributing to the oxygen reduction reaction in nanostructured cathodes of La0.8Sr0.2MnO3 (LSM) for Solid Oxide Fuel Cells (SOFC). These cathodes, developed from LSM nanostructured tubes, can be used…

We experimentally demonstrate a detection scheme suitable for state analysis of single optically trapped atoms in less than 1 {\mu}s with an overall detection efficiency {\eta} exceeding 98%. The method is based on hyperfine-state-selective…

The practical use of nanoparticle superlattices (NPSLs) which are of great interest as materials with designed functionalities is often limited by their lack of structural stability under various utilization conditions. Here, we report a…

Materials Science · Physics 2018-11-09 Shin-Hyun Kang , Min-Jae Lee , Jeeun Lee , Jun-Ki Lee , Min Gyu Kim , Sung-Min Choi

Vanadium is a transition metal with multiple oxidation states and V2O5 is the most stable form among them. Besides catalysis, chemical sensing and photo-chromatic applications, V2O5 is also reported to exhibit a semiconductor to metal…

Materials Science · Physics 2018-01-03 Raktima Basu , Sandip Dhara

Single-atom catalysts (SACs) maximize atom efficiency and exhibit unique electronic structures, yet realizing precise and scalable atomic dispersion remains a key challenge. Here, we report a non-equilibrium strategy for the scalable…

Materials Science · Physics 2026-01-21 Yue Li , Yang Xu , Yunbiao Zhao , Mingwei Cui , Xiner Chen , Liu Qian , Jin Zhang , Xueting Feng , Ziqiang Zhao

Nanocrystalline materials are well known for their beneficial mechanical and physical properties. However, it is of utmost importance to stabilize the microstructure at elevated temperatures to broaden the window of application e.g. by…

Metal oxides with strong nonlinear optical properties and wide transparency window are key materials for the development of compact and efficient photonic integrated circuits used for electro-optic modulators and entangled photon sources.…

The deposition of a high-$\kappa$ oxide overlayer is known to significantly enhance the room-temperature electron mobility in single-layer MoS$_{2}$ (SLM) but not in single-layer graphene (SLG). We give a quantitative account of how this…

Materials Science · Physics 2014-09-04 Zhun-Yong Ong , Massimo V. Fischetti

This study investigates the catalytic degradation of ground-level ozone on low-index stoichiometric and reduced CeO$_2$ surfaces using first-principles calculations. The presence of oxygen vacancies on the surface enhances the interaction…

Materials Science · Physics 2024-02-08 Suchitra Gupta , Joon Hwan Choi , Hojin Jeong , Seung-Cheol Lee , Satadeep Bhattacharjee

The photo-induced desorption and oxidation of CO on Ru(0001) is simulated using ab initio molecular dynamics with electronic friction that accounts for the non-equilibrated excited electrons and phonons. Different (O,CO) coverages are…

Materials Science · Physics 2023-07-06 Auguste Tetenoire , J. Iñaki Juaristi , Maite Alducin

Strontium titanate (STO) possesses promising properties for applications in thermoelectricity, catalysis, fuel cells, and more, but its performance is highly dependent on stoichiometry and impurity levels. While atom probe tomography (APT)…

Materials Science · Physics 2025-01-22 J. E. Rybak , J. Arlt , B. Gault , C. A. Volkert

Nanostructured TiO2 thin films were prepared by pulsed laser deposition (PLD) on indium doped tin oxide (ITO) substrates. Results from X-ray photoelectron spectroscopy (XPS) show that Ti 2p core level peaks shift toward the lower binding…

Materials Science · Physics 2007-12-20 H. Lin , Abdul K. Rumaiz , Meghan Schulz , Demin Wang , Reza Rock , C. P. Huang , S. Ismat Shah

To achieve high quality epitaxial thin films and heterostructures of transition metal oxides with atomically controlled interfaces, one critical requirement is the use of atomically flat single terminated oxide substrates since the atomic…

Materials Science · Physics 2017-05-30 Abhijit Biswas , Chan Ho Yang , Ramamoorthy Ramesh , Yoon H Jeong

Density functional theory based global geometry optimization has been used to demonstrate the crucial influence of the geometry of the catalytic cluster on the energy barriers for the CO oxidation reaction over Pd-based bimetallic…

Materials Science · Physics 2015-12-15 Dennis Palagin , Jonathan P. K. Doye

We have studied the dependence of metal oxide properties in molecular dynamics (MD) simulations on the polarizability of oxygen ions. We present studies of both liquid and crystalline structures of silica (SiO2), magnesia (MgO) and alumina…

Materials Science · Physics 2012-11-13 Philipp Beck , Peter Brommer , Johannes Roth , Hans-Rainer Trebin

The preparation and properties of zeolite-containing oxide coatings obtained by plasma electrolytic oxidation are investigated and discussed. Pure and Ce-exchanged natural (clinoptilolite) and synthetic (13X) zeolites are immobilized on…

This work demonstrates the viability of scandium oxide deposition on silicon by means of high pressure sputtering. Deposition pressure and radio frequency power are varied for optimization of the properties of the thin films and the ScOx-Si…

We report on the non-trivial nanoscale kinetics of the deposition of novel complex oxide heterostructures composed of a unit-cell thick correlated metal LaNiO3 and dielectric LaAlO3. The multilayers demonstrate exceptionally good…

Strongly Correlated Electrons · Physics 2015-05-18 M. Kareev , S. Prosandeev , Jian Liu , B. Gray , P. Ryan , A. Kareev , Eun Ju Moon , J. Chakhalian

Hydrogen synthesis is a clean, sustainable alternative to fossil fuel \cite{gals}. It has come of age: prototyping various aspects of hydrogen power are hot topics. In 9 out of 10 reactions, a solid catalyst is used. Here hydrogen…

Materials Science · Physics 2026-05-12 Ali Bagci , Philip E Hoggan
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