Related papers: High Proton Conductivity of HxWO3 at Intermediate …
Among various perovskite proton conducting oxides, Y-doped BaZrO3 perovskite is a promising material for electrochemical hydrogen devices due to the good chemical stability and higher proton conductivity at higher operating temperatures…
Fast proton conduction mechanism is of key importance for achieving high performance in fuel cell membranes, batteries, supercapacitors, and electrochromic materials. Enhanced proton diffusion is often observed in hydrated materials where…
Monolayers of graphene and hexagonal boron nitride (hBN) are highly permeable to thermal protons. For thicker two-dimensional (2D) materials, proton conductivity diminishes exponentially so that, for example, monolayer MoS2 that is just…
The interfacial electronic properties of complex oxides are governed by a delicate balance between charge transfer, lattice distortions, and electronic correlations, posing a key challenge for controlled tunability in materials research.…
Design novel solid oxide electrolyte with enhanced ionic conductivity forms one of the Holy Grails in the field of materials science due to its great potential for wide range of energy applications. Conventional solid oxide electrolyte…
Proton transport property is studied by modelling the intermolecular pair correlation functions of the proton ion with the electrode and the electrolyte of a polymer electrolyte fuel cell (PEMFC) by using Materials-Studio and then applying…
We report the superconducting properties of the K$_{x}$WO$_{3}$ tetragonal tungsten bronze. The highest superconducting transition temperature ($T_{c}=2.1$K) was obtained for K$_{0.38}$WO$_{3}$. $T_{c}$ decreases linearly with increasing K…
Hydrous minerals contribute largely to the transport and distribution of water into the mantle of earth to regulate the process of deep-water cycle. Brucite is one of the simplest layered dense hydrous mineral belonging to MgO-SiO2-H2O…
Graphene is impermeable to all gases and liquids, and even such a small atom as hydrogen is not expected to penetrate through graphene's dense electronic cloud within billions of years. Here we show that monolayers of graphene and hexagonal…
We report epitaxial synthesis of superconducting CsxWO3 (x = 0.11, 0.20, 0.31) films on Y-stabilized ZrO2 (111) substrates. The hexagonal crystal structure was verified not only for composition within the stable region of bulk (x = 0.20,…
Proton-conducting oxides have potential applications in hydrogen sensors, hydrogen pumps, and other electrochemical devices including the tritium purification and recovery systems of nuclear fusion reactors. Although the distribution of…
Heterostructures of 2D materials offer a fertile ground to study ion transport and charge storage. Here we employ ab initio molecular dynamics to examine the proton-transfer/diffusion and redox behavior in a water layer confined in the…
Protonic ceramic fuel cells can be operated at low temperatures, but their performances relying on bulk ion transfer in solid electrolytes are usually limited by much lower proton conductivity than 0.1 S/cm below 600 {\deg}C. Herein,…
The measurement of hydrogen induced changes on the electronic structure of transition metal oxides by X-ray photoelectron spectroscopy is a challenging endeavor, since the origin of the photoelectron cannot be unambiguously assigned to…
The discovery of high critical temperature T_{c} superconductivity in highly compressed H_{3}S has opened up the question of searching for strong electron-phonon coupling in the hydrides outside the transition metal series. The specific…
The discovery of high temperature superconductivity in cuprates was possible only through an intimate knowledge of perovskite oxides which have been synthesized and characterized for decades at the IBM in the Z\"urich laboratoty. Especially…
Using first-principles calculations, we examine the transition temperature $T_{\rm c}$ of superconductivity in sodium tungsten bronze ( Na$_x$WO$_3$, where $x$ is equal to or less than unity ). Although $T_{\rm c}$ is relatively low $T_{\rm…
We demonstrate a high electron conductivity (> 10^2 S/cm and up to 10^3 S/cm) of tungsten suboxide W18O(52.4-52.9)(or equivalently WO(2.91-2.94)) nanotubes (2 to 3 nm in diameter, ca. micrometer long). The conductivity is measured in the…
Hydrogen compounds are peculiar as the quantum nature of the proton can crucially affect their structural and physical properties. A remarkable example are the high-pressure phases of H$_2$O, where quantum proton fluctuations favor the…
This study utilizes first-principles computational methods to comprehensively analyze the impact of A-site doping on the proton conduction properties of BaHfO$_3$. The goal is to offer theoretical support for the advancement of electrolyte…