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The possible formation of oxides or thin oxide films (surface oxides) on late transition metal surfaces is recently being recognized as an essential ingredient when aiming to understand catalytic oxidation reactions under technologically…

材料科学 · 物理学 2009-11-13 Jutta Rogal , Karsten Reuter , Matthias Scheffler

The formation of ultrathin oxide layers on metal surfaces is a non-thermally-activated process which takes place spontaneously at very low temperatures within nanoseconds. This paper reports mechanistic details of the initial oxidation of…

材料科学 · 物理学 2008-07-23 Lucio Colombi Ciacchi

Thin films of transition metal oxides open up a gateway to nanoscale electronic devices beyond silicon characterized by novel electronic functionalities. While such films are commonly prepared in an oxygen atmosphere, they are typically…

Using density-functional theory we assess the stability of bulk and surface oxides of the late 4d transition metals in a ``constrained equilibrium'' with a gas phase formed of O2 and CO. While the stability range of the most stable bulk…

材料科学 · 物理学 2009-11-10 Karsten Reuter , Matthias Scheffler

Porous metal oxides with nano-sized features attracted intensive interest in recent decades due to their high surface area which is essential for many applications, e.g. Li ion batteries, photocatalysts, fuel cells and dye-sensitized solar…

材料科学 · 物理学 2015-02-26 Shaoren Deng , Mert Kurttepeli , Daire J. Cott , Sara Bals , Christophe Detavernier

The structure of thin terminated Bi(1 1 1) films of approximately 1 nm thickness is investigated from first principles. Our density functional theory calculations show that covalent bonds to the surface can change the orientation of the…

材料科学 · 物理学 2019-07-16 Christian König , Stephen Fahy , James C. Greer

As symbolized by the Nobel Prize in Physics 2016, "topology" has been recognized as an essential standpoint to understand and control the physics of condensed matter. This concept may be spreading even into application areas such as novel…

强关联电子 · 物理学 2018-03-09 Masaki Uchida , Masashi Kawasaki

Pd(111) has recently been shown to exhibit a propensity to form a sub-nanometer thin surface oxide film already well before a full monolayer coverage of adsorbed O atoms is reached on the surface. Aiming at an atomic-scale understanding of…

材料科学 · 物理学 2009-11-11 Mira Todorova , Karsten Reuter , Matthias Scheffler

To help provide insight into the remarkable catalytic behavior of the oxygen/silver system for heterogeneous oxidation reactions, purely sub-surface oxygen, and structures involving both on-surface and sub-surface oxygen, as well as…

材料科学 · 物理学 2009-11-10 Wei-Xue Li , Catherine Stampfl , Matthias Scheffler

Understanding the air-stability of MnBi$_2$Te$_4$ thin films is crucial for the development and long-term operation of electronic devices based around magnetic topological insulators. In the present work, we study MnBi$_2$Te$_4$ thin films…

Kinetic understanding of hydrogen co-reduction of multinary and multi-phase oxides is of interest for enhancing sustainability of alloy production and transition to a hydrogen-based economy. Benefits include decrease in energy consumption,…

材料科学 · 物理学 2026-03-17 Emmanuel Uwayezu , Shaolou Wei , Yujiao Li , Johannes D. Bartl , Dierk Raabe , Alfred Ludwig

Metal oxide thin films are of great interest in scientific advancement, particularly semiconductor thin films in transistors and in a wide range of optoelectronic applications. Many metal oxide thin films attract interest for their…

应用物理 · 物理学 2024-11-21 Darragh Buckley , Alex Lonergan , Colm O'Dwyer

Organisms in nature can alter the short-range order of an amorphous precursor phase, thereby controlling the resulting crystalline structure. This phenomenon inspired an investigation of the effect of modifying the short-range order within…

材料科学 · 物理学 2020-01-13 Yael Etinger-Geller , Alex Katsman , Boaz Pokroy

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…

This paper discusses questions of synthesizing and pressing vanadium oxides to create film-forming materials that can be used in producing optical coatings. Based on the film-forming materials thus created, technological processes have been…

材料科学 · 物理学 2017-03-02 Martin Rees , Haifei Wang , Thomas Decker , Robinson L. Smith

Thin aluminum oxide films were deposited by a new and simple physicochemical method called chemical liquid phase deposition (CLD) on semiconductor materials. Aluminum sulfate with crystallized water and sodium bicarbonate were used as…

材料科学 · 物理学 2007-05-23 Jie Sun , Yingchun Sun

The durability of passivable metals and alloys is often limited by the stability of the surface oxide film, the passive film, providing self-protection against corrosion in aggressive environments. Improving this stability requires to…

材料科学 · 物理学 2019-07-26 Li Ma , Frederic Wiame , Vincent Maurice , Philippe Marcus

Topotactic transition is a structural phase change in a matrix crystal lattice mediated by the ordered loss/gain and rearrangement of atoms, leading to unusual coordination environments and metal atoms with rare valent states. As early as…

材料科学 · 物理学 2023-05-29 Ziang Meng , Han Yan , Peixin Qin , Xiaorong Zhou , Xiaoning Wang , Hongyu Chen , Li Liu , Zhiqi Liu

Vanadium dioxide is a complex oxide material, which shows large resistivity and optical reflectance change while transitioning from the insulator to metal phase at ~68 {\deg}C. In this work, we use a modified atmospheric thermal oxidation…

应用物理 · 物理学 2021-05-24 P Ashok , Yogesh Singh Chauhan , Amit Verma

Thin coatings of Chromium oxide have been used for applications as absorbing material in solar cells, as protections for magnetic data recording devices and as shields in flexible solar cells. Thin coatings of pure chromium were vacuum…

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