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X-ray amorphous manganese oxides were prepared by reduction of sodium permanganate by lithium iodide in aqueous medium (MnOx-I) and by decomposition of manganese carbonate at moderate temperature (MnOx-C). TEM showed that these materials…

Unraveling the atomistic and the electronic structure of solid-liquid interfaces is the key to the design of new materials for many important applications, from heterogeneous catalysis to battery technology. Density functional theory (DFT)…

Materials Science · Physics 2022-01-25 Marco Eckhoff , Jörg Behler

We investigated the effects of paramagnetic (PM) fluctuations on the thermochemistry of the MnO(100) surface in the oxygen evolution reaction (OER) using the "noncollinear magnetic sampling method \textit{plus} $U$" (NCMSM$+U$). Various…

Materials Science · Physics 2023-07-19 Sangmoon Yoon , Kyoungsuk Jin , Sangmin Lee , Ki Tae Nam , Miyoung Kim , Young-Kyun Kwon

Green hydrogen production is crucial for a sustainable future, but current catalysts for the oxygen evolution reaction (OER) suffer from slow kinetics, despite many efforts to produce optimal designs, particularly through the calculation of…

The electrochemical corrosion rate of Magnesium (Mg) and Mg alloys depends on the stability of the formed surface layer. Based on the Mg substrate, the oxide structure comprises a dense MgO/Mg(OH)2 mixture underneath a porous plate-like…

The control over the structural homogeneity is of paramount importance for ternary nitride compounds - the second most important semiconducting material-class after Si, due to its unrivalled applicability in optoelectronics, and high…

Materials Science · Physics 2018-11-01 Rafal Jakiela , Katarzyna Gas , Maciej Sawicki , Adam Barcz

Understanding transition metal atoms' intercalation and diffusion behavior in two-dimensional (2D) materials is essential for advancing their potential in spintronics and other emerging technologies. In this study, we used density…

Catalysts for oxygen reduction and evolution reactions are at the heart of key renewable energy technologies including fuel cells and water splitting. Despite tremendous efforts, developing oxygen electrode catalysts with high activity at…

Materials Science · Physics 2011-08-12 Yongye Liang , Yanguang Li , Hailiang Wang , Jigang Zhou , Jian Wang , Tom Regier , Hongjie Dai

In this study, we address the significant challenge of overcoming limitations in catalytic efficiency for the oxygen evolution reaction (OER). The current linear scaling relationships hinder the optimization of electrocatalytic performance.…

Materials Science · Physics 2023-06-06 Swetarekha Ram , Gwan Hyun Choi , Albert S. Lee , Seung-Cheol Lee , Satadeep Bhattacharjee

In this letter we report the stress induced Mn charge-ordering process in the LiMn2O4 spinel, evidenced by the lattice strain evolutions due to the Jahn-Teller effects. In-situ neutron diffraction, reveals that the initial stage of this…

Materials Science · Physics 2016-02-16 Yan Chen , Dunji Yu , Ke An

MoS2 nanostructures are promising catalysts for proton-exchange-membrane (PEM) electrolyzers to replace expensive noble metals. Their broadscale application demands high activity for the hydrogen evolution reaction (HER) as well as robust…

A major challenge in electrochemistry is to decouple the reactive intermediates of a catalytic cycle to optimise their energies independently. During the oxygen evolution reaction (OER), such energy interdependence results from the need to…

Layered LiMnO$_2$ and Li$_2$MnO$_3$ are of great interest for lithium-ion battery cathodes because of their high theoretical capacities. The practical application of these materials is, however, limited due to poor electrochemical…

Materials Science · Physics 2015-02-25 Khang Hoang

Non-linear conduction in a charge-ordered manganese oxide Pr$_{0.63}$Ca$_{0.37}$MnO$_3$ is reported. To interpret such a feature, it is usually proposed that a breakdown of the charge or orbitally ordered state is induced by the current.…

Condensed Matter · Physics 2009-11-10 A. Wahl , S. Mercone , A. Pautrat , M. Pollet , Ch. Simon

Earth-abundant two-dimensional (2D) pristine transition metal dichalcogenides (TMDs) have emerged as a superlative class of materials for several applications in electronic devices, energy storage devices, gas sensing, etc., and they have…

Materials Science · Physics 2021-06-29 Joy Ekka , Shrish Nath Upadhyay , Verma Bunty Sardar , Srimanta Pakhira

Co-reduction of multicomponent oxides with hydrogen provides a carbon-neutral approach toward sustainable alloy design. Herein, we investigate the hydrogen-based direct reduction, using in-situ high-energy X-ray diffraction of two precursor…

Materials Science · Physics 2025-10-09 Shiv Shankar , Barak Ratzker , Claudio Pistidda , Dierk Raabe , Yan Ma

Manganese-based MXenes are promising two-dimensional materials due to the broad palette of their magnetic phases and the possibility of experimental preparation because the corresponding MAX phase was already prepared. Here, we…

Materials Science · Physics 2024-08-01 Jiří Kalmár , František Karlický

Atomically engineered oxide heterostructures provide a fertile ground for creating novel states. For example, a two-dimensional electron gas at the interface between two oxide insulators, giant thermoelectric Seebeck coefficient, emergent…

The design and development of inexpensive highly efficient electrocatalysts for hydrogen production, underpins several emerging clean-energy technologies. In this work, for the first time, molybdenum disulfide (MoS2) nanodots have been…

Materials Science · Physics 2015-07-02 John Benson , Meixian Li , Shuangbao Wang , Peng Wang , Pagona Papakonstantinou

Some of the materials are more affected by oxidation than others. To elucidate the oxidation-induced degradation mechanisms in transition metal chalcogenides, the chemical effects in single layer MoS$_2$ and MoTe$_2$ were studied in situ in…